SCHEMBL382363

SCHEMBL382363

COC(=O)c1ccc(N2CCC(O)CC2)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 3/20 0.46
MAPT P10636 3/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 2/20 0.46
MAPK1 P28482 2/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE7A Q13946 1/20 0.39
OPRK1 P41145 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 2/20 0.37
ALOX15 P16050 2/20 0.37
MEN1 O00255 1/20 0.37
KCNH2 Q12809 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
SCHEMBL27270600 0.88 MAPT (0.43) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL382395 0.88 ALDH1A1 (0.48) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL382523 0.85 MAPT (0.41) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL382601 0.80 OPRK1 (0.41) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL61305 0.77 KMT2A (0.41) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL381764 0.77 HPGD (0.57) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL853123 0.77 ALDH1A1 (0.54) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL1098022 0.75 MYC (0.46) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL1096145 0.75 ALDH1A1 (0.59) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL25133838 0.75 ALDH1A1 (0.41) ALDH1A1KDM4ENPC1MAPTRAB9A

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