SCHEMBL9424312

SCHEMBL9424312

CN1CCN(c2ccccc2N=C(N)N(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.49
DRD2 P14416 3/20 0.43
DRD3 P35462 3/20 0.43
NCF1 P14598 2/20 0.41
SIGMAR1 Q99720 5/20 0.40
MAPK1 P28482 3/20 0.38
MAPT P10636 2/20 0.38
EGFR P00533 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR1A P08908 2/20 0.36
DRD4 P21917 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL9424309 1.00 ADRA2C (0.49) ADRA2CDRD2DRD3NCF1SIGMAR1
SCHEMBL9059572 0.88 NPC1 (0.44) SIGMAR1MAPK1MAPTKMT2AKDM4E
SCHEMBL9059574 0.88 NPC1 (0.44) SIGMAR1MAPK1MAPTKMT2AKDM4E
SCHEMBL9059683 0.87 NPC1 (0.46) SIGMAR1MAPK1MAPTKDM4EPOLB
SCHEMBL9059681 0.87 NPC1 (0.46) SIGMAR1MAPK1MAPTKDM4EPOLB
SCHEMBL9059192 0.84 SIGMAR1 (0.40) SIGMAR1
SCHEMBL2707104 0.84 SIGMAR1 (0.40) SIGMAR1MAPTLMNAKMT2AALDH1A1
SCHEMBL6553147 0.84 SIGMAR1 (0.40) SIGMAR1MAPTLMNAKMT2AALDH1A1
Hydrochloric Acid SCHEMBL9424101 0.83 SIGMAR1 (0.39) SIGMAR1MAPTLMNAKMT2AALDH1A1
Hydrochloric Acid SCHEMBL9424098 0.83 SIGMAR1 (0.39) SIGMAR1MAPTLMNAKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5373008-A Phenylamidine and phenylguanidine derivatives and their use as anti-diabetic agents THE BOOTS COMPANT PLC. (GB) 1994-12-13 US disclosed
US-5223498-A Hypoglycemic agents THE BOOTS COMPANY PLC (GB) 1993-06-29 US disclosed
EP-0385038-B1 ORTHO-SUBSTITUTED PHENYL AMIDINE AND PHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM The Boots Company PLC (GB) 1993-06-02 EP disclosed
EP-0385038-A1 Ortho-substituted phenyl amidine and phenyl guanidine derivatives and antidiabetic or hypoglycaemic agents containing them The Boots Company PLC (GB) 1990-09-05 EP disclosed