SCHEMBL3363095

SCHEMBL3363095

N#CCNC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DPP4 P27487 8/20 0.39
DPP7 Q9UHL4 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PABPC1 P11940 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CTSK P43235 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10075389 0.97
SCHEMBL24579128 0.92
SCHEMBL3624309 0.87
Hydrochloric Acid SCHEMBL695693 0.84
SCHEMBL19643296 0.76 OPRL1 (0.37)
SCHEMBL21482136 0.76 KDM1A (0.33)
SCHEMBL3167403 0.76 DPP4 (0.40) KDM4EALDH1A1HSD17B10DPP4DPP7
SCHEMBL24195829 0.76 GNAI3 (0.46) DPP7
SCHEMBL12448329 0.76 KMT2A (0.48) KMT2A
SCHEMBL6160369 0.76 DPP4 (0.40) KDM4EALDH1A1HSD17B10DPP4DPP7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4042642-A 1,3-BIS(MORPHOLINOTHIO)-IMIDAZOLIDINONE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1977-08-16 US claimed
US-3960857-A Urea additives for sulfur vulcanizable polymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-06-01 US claimed
EP-3464286-B1 PYRAZOLOPYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER GENENTECH INC (US) 2021-08-18 EP disclosed
US-8436006-B2 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) JANSSSEN PHARMACEUTICA N.V. (BE) 2013-05-07 US disclosed
US-8426429-B2 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) JANSSSEN PHARMACEUTICA N.V. (BE) 2013-04-23 US disclosed
US-8383637-B2 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) JANSSSEN PHARMACEUTICA N.V. (BE) 2013-02-26 US disclosed
EP-1776349-B1 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2010-10-06 EP disclosed
EP-1966198-A1 2-AMINO-3,4-DIHYDRO-PYRIDOÝ3,4-D¨PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-10 EP disclosed
EP-1789398-A1 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF B-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-30 EP disclosed
WO-2007050612-A1 2-AMINO-3,4-DIHYDRO-PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 WO disclosed
EP-1776350-A1 NOVEL 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF ß-SECRETASE ( BACE ) JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-25 EP disclosed
WO-2006017844-A1 NOVEL 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF β-SECRETASE (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2006-02-16 WO disclosed
WO-2006017836-A2 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2006-02-16 WO disclosed
US-4835175-A Indole derivatives pharmaceutical preparations based thereon, and β-receptor stimulation therewith SCHERING AKTIENGESELLSCHAFT (DE) 1989-05-30 US disclosed
EP-0062919-B1 INDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1986-07-30 EP disclosed
EP-0062919-A1 Indole derivatives, process for their preparation and pharmaceutical compositions containing them SCHERING AKTIENGESELLSCHAFT (DE) 1982-10-20 EP disclosed
US-4134889-A Manufacture of glycinonitriles BASF AKTIENGESELLSCHAFT (DE) 1979-01-16 US disclosed
US-4042642-A 1,3-BIS(MORPHOLINOTHIO)-IMIDAZOLIDINONE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1977-08-16 US disclosed
US-3960857-A Urea additives for sulfur vulcanizable polymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-06-01 US disclosed
US-3944552-A VULCANIZATION THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-03-16 US disclosed