SCHEMBL9684514

SCHEMBL9684514

CCN1CCc2nc(N3CCN(Cc4ccccc4)CC3)ncc2C1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 9/20 0.67
HTT P42858 6/20 0.67
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
TSHR P16473 4/20 0.52
HPGD P15428 2/20 0.52
GAA P10253 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPT P10636 3/20 0.50
USP2 O75604 2/20 0.50
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPK1 P28482 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HTR1A P08908 3/20 0.44
HTR2A P28223 3/20 0.44
DRD2 P14416 2/20 0.44
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL9685234 0.90 HTT (0.62) LMNAHTTALDH1A1SMN1; SMN2TSHR
SCHEMBL9686172 0.84 LMNA (0.60) LMNAHTTALDH1A1SMN1; SMN2TSHR
SCHEMBL9686619 0.82 LMNA (0.58) LMNAHTTALDH1A1SMN1; SMN2TSHR
SCHEMBL8898023 0.81 HTT (0.64) LMNAHTTALDH1A1SMN1; SMN2TSHR
SCHEMBL9685255 0.80 HTT (1.00) LMNAHTTALDH1A1SMN1; SMN2TSHR
SCHEMBL8808754 0.79 HTT (0.64) LMNAHTTALDH1A1SMN1; SMN2TSHR
SCHEMBL9686720 0.79 HTT (0.61) LMNAHTTALDH1A1SMN1; SMN2TSHR
SCHEMBL8809481 0.79 HTT (0.53) LMNAHTTALDH1A1SMN1; SMN2TSHR
SCHEMBL9686633 0.78 ALDH1A1 (0.42) LMNAHTTALDH1A1SMN1; SMN2TSHR
SCHEMBL8811620 0.78 HTT (0.58) LMNAHTTALDH1A1SMN1; SMN2TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0188094-B1 QUINAZOLINE DERIVATIVES AND ANTIHYPERTENSIVE PREPARATIONS CONTAINING SAME AS EFFECTIVE COMPONENTS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-03-18 EP disclosed
EP-0192783-B1 2-PIPERAZINOPYRIMIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-04-17 EP disclosed
US-4742165-A HERBICIDES MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-05-03 US disclosed
US-4734418-A Quinazoline compounds and antihypertensives MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-03-29 US disclosed
EP-0192783-A1 2-PIPERAZINOPYRIMIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1986-09-03 EP disclosed
EP-0188094-A2 Quinazoline derivatives and antihypertensive preparations containing same as effective components MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1986-07-23 EP disclosed