SCHEMBL7445641

SCHEMBL7445641

CCC1c2ccc(NC(=O)c3ccc(C=NN4CCN(C)CC4)cc3)cc2CCC1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.41
ITGA2B P08514 8/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
MAPT P10636 3/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
HTR1F P30939 4/20 0.36
HTR1A P08908 3/20 0.36
HTR1D P28221 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 2/20 0.36
HTR1B P28222 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BTK Q06187 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL7431161 0.95 RAB9A (0.39) ITGB3ITGA2BSMN1; SMN2NPC1MAPT
SCHEMBL7431007 0.94 ITGB3 (0.41) ITGB3ITGA2BSMN1; SMN2NPC1MAPT
SCHEMBL7386959 0.94 RAB9A (0.42) ITGB3ITGA2BSMN1; SMN2NPC1RAB9A
SCHEMBL7394349 0.93 RAB9A (0.44) ITGB3ITGA2BSMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL7391203 0.93 ITGB3 (0.41) ITGB3ITGA2BSMN1; SMN2NPC1MAPT
SCHEMBL7387851 0.92 ITGB3 (0.46) ITGB3ITGA2BSMN1; SMN2NPC1MAPT
SCHEMBL7388128 0.92 ITGB3 (0.40) ITGB3ITGA2BSMN1; SMN2NPC1RAB9A
SCHEMBL7434120 0.91 DRD3 (0.41) ITGB3ITGA2BSMN1; SMN2NPC1MAPT
SCHEMBL7432983 0.91 NPC1 (0.41) ITGB3ITGA2BSMN1; SMN2NPC1MAPT
SCHEMBL7394654 0.89 RAB9A (0.46) ITGB3ITGA2BSMN1; SMN2NPC1MAPT

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