SCHEMBL383774

SCHEMBL383774

COC(=O)c1ccc(N2CCC(N)CC2)c(F)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.60
MAPT P10636 6/20 0.60
NPC1 O15118 5/20 0.60
RAB9A P51151 5/20 0.60
ALDH1A1 P00352 5/20 0.60
KDM4E B2RXH2 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
GAA P10253 2/20 0.53
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
TSHR P16473 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL6500337 0.90 KDM4E (0.56) HPGDMAPTNPC1RAB9AALDH1A1
SCHEMBL381764 0.88 HPGD (0.57) HPGDMAPTNPC1RAB9AALDH1A1
SCHEMBL1748960 0.88 ALDH1A1 (0.72) HPGDMAPTNPC1RAB9AALDH1A1
SCHEMBL381751 0.85 ALDH1A1 (0.61) HPGDMAPTNPC1RAB9AALDH1A1
SCHEMBL7470496 0.85 DPP4 (0.52) HPGDMAPTNPC1RAB9AALDH1A1
SCHEMBL25141493 0.85 MAPT (0.54) HPGDMAPTNPC1RAB9AALDH1A1
SCHEMBL38659323 0.84 MAPT (0.60) HPGDMAPTNPC1RAB9AALDH1A1
SCHEMBL31614475 0.84 MAPT (0.53) HPGDMAPTNPC1RAB9AALDH1A1
SCHEMBL6125361 0.83 RAB9A (0.70) HPGDMAPTNPC1RAB9AALDH1A1
SCHEMBL2426374 0.82 WDR5 (0.58) MAPTNPC1RAB9AALDH1A1KDM4E

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