SCHEMBL7431007

SCHEMBL7431007

CCC1c2cc(NC(=O)c3ccc(C=NN4CCN(C)CC4)cc3)ccc2CCC1CC(=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 0.40
NPC1 O15118 3/20 0.40
MAPT P10636 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 2/20 0.40
PKM P14618 1/20 0.40
CTSS P25774 1/20 0.39
HTR1A P08908 3/20 0.39
HTR1D P28221 3/20 0.39
HTR1F P30939 3/20 0.39
HTR1B P28222 2/20 0.38
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNA5 P22460 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL7391203 0.99 ITGB3 (0.41) ITGB3ITGA2BSMN1; SMN2NPC1MAPT
SCHEMBL7434120 0.95 DRD3 (0.41) ITGB3ITGA2BSMN1; SMN2NPC1MAPT
SCHEMBL7445641 0.94 ITGB3 (0.41) ITGB3ITGA2BSMN1; SMN2NPC1MAPT
SCHEMBL7395359 0.94 RAB9A (0.43) ITGB3ITGA2BSMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL7388899 0.93 RAB9A (0.42) ITGB3ITGA2BSMN1; SMN2NPC1RAB9A
SCHEMBL7442101 0.93 RAB9A (0.45) ITGB3ITGA2BSMN1; SMN2NPC1RAB9A
SCHEMBL7439409 0.92 CTSS (0.40) ITGB3ITGA2BSMN1; SMN2NPC1MAPT
SCHEMBL7390234 0.92 ITGB3 (0.40) ITGB3ITGA2BSMN1; SMN2NPC1RAB9A
SCHEMBL7388744 0.92 ITGB3 (0.47) ITGB3ITGA2BSMN1; SMN2NPC1MAPT
SCHEMBL7432715 0.91 RAB9A (0.48) 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