SCHEMBL7439409

SCHEMBL7439409

CN1CCN(N=Cc2ccc(C(=O)Nc3ccc4c(c3)C(CCO)C(CC(=O)O)CC4)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.40
ITGB3 P05106 9/20 0.39
ITGA2B P08514 9/20 0.39
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
HTR1A P08908 3/20 0.38
HTR1D P28221 3/20 0.38
HTR1F P30939 3/20 0.38
HTR1B P28222 2/20 0.37
MAPK1 P28482 1/20 0.35
LMNA P02545 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
SCHEMBL7392449 0.93 RAB9A (0.42) CTSSITGB3ITGA2BRAB9ANPC1
SCHEMBL7443324 0.92 NPC1 (0.41) CTSSITGB3ITGA2BRAB9ANPC1
SCHEMBL7431007 0.92 ITGB3 (0.41) CTSSITGB3ITGA2BRAB9ANPC1
SCHEMBL7392148 0.91 ITGB3 (0.38) CTSSITGB3ITGA2BRAB9ANPC1
SCHEMBL7390246 0.91 ITGB3 (0.46) ITGB3ITGA2BRAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL7391203 0.91 ITGB3 (0.41) CTSSITGB3ITGA2BRAB9ANPC1
SCHEMBL7443951 0.89 ITGB3 (0.40) CTSSITGB3ITGA2BRAB9ANPC1
SCHEMBL7394106 0.87 RAB9A (0.41) ITGB3ITGA2BRAB9ANPC1SMN1; SMN2
SCHEMBL7434120 0.87 DRD3 (0.41) ITGB3ITGA2BRAB9ANPC1SMN1; SMN2
SCHEMBL7432983 0.87 NPC1 (0.41) ITGB3ITGA2BRAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760364-B1 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI CHEMICALS INC (JP) 2000-07-19 EP disclosed
EP-0760364-A2 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1997-03-05 EP disclosed