SCHEMBL383241

SCHEMBL383241

O=C(O)c1ccc(N2CCC(Nc3nc4ccccc4[nH]3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
HTR2B P41595 2/20 0.51
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.49
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
GAA P10253 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
MAPK1 P28482 1/20 0.49
KCNH2 Q12809 2/20 0.48
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
AKR1C3 P42330 1/20 0.46
PKM P14618 1/20 0.46
MAOB P27338 1/20 0.46
ADORA2A P29274 1/20 0.46
USP2 O75604 1/20 0.46
SCD O00767 1/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL382235 0.85 MAPT (0.51) MAPTHTR2BTP53SMN1; SMN2NPC1
SCHEMBL381930 0.83 ITGB3 (0.48) MAPTHTR2BTP53SMN1; SMN2NPC1
SCHEMBL381931 0.83 ITGB3 (0.46) MAPTHTR2BTP53SMN1; SMN2NPC1
SCHEMBL8139051 0.81 SMN1; SMN2 (0.53) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL382483 0.78 ITGB3 (0.66) ITGB3ITGAV
SCHEMBL382991 0.78 ITGB3 (0.47) MAPTHTR2BTP53SMN1; SMN2NPC1
SCHEMBL7651404 0.77 HTR2B (0.65) MAPTHTR2BTP53RAB9AALDH1A1
SCHEMBL9383756 0.77 NPC1 (0.53) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL7656383 0.77 ITGB3 (0.44) MAPTHTR2BTP53SMN1; SMN2GAA
SCHEMBL9690986 0.77 SMN1; SMN2 (0.51) MAPTSMN1; SMN2NPC1RAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed
US-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 US disclosed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP disclosed