SCHEMBL382148

SCHEMBL382148

CCOC(=O)c1ccc(N2CCCC2Nc2ncccn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 3/20 0.45
HTT P42858 3/20 0.45
MAPK1 P28482 1/20 0.45
AXL P30530 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALOX12 P18054 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NOS2 P35228 1/20 0.42
GAA P10253 1/20 0.41
METAP1 P53582 1/20 0.41

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
SCHEMBL7054704 0.97 ALDH1A1 (0.45) MAPTALDH1A1KDM4EHSD17B10HTT
SCHEMBL7474418 0.86 NPC1 (0.52) MAPTALDH1A1KDM4EHSD17B10HTT
SCHEMBL7466043 0.85 OPRK1 (0.43) MAPTALDH1A1KDM4EHTTMAPK1
SCHEMBL7471282 0.83 AXL (0.46) MAPTALDH1A1KDM4EHSD17B10HTT
SCHEMBL382582 0.83 USP2 (0.40) ALDH1A1KDM4EUSP2SMN1; SMN2GAA
SCHEMBL7050641 0.81 OPRK1 (0.42) MAPTALDH1A1HTTMAPK1RAB9A
SCHEMBL7470661 0.81 OPRK1 (0.42) MAPTALDH1A1HTTMAPK1RAB9A
SCHEMBL7054705 0.81 OPRK1 (0.49) MAPTALDH1A1KDM4EHSD17B10HTT
SCHEMBL7468246 0.81 OPRK1 (0.49) MAPTALDH1A1KDM4EHSD17B10HTT
SCHEMBL382510 0.80 NOS2 (0.51) MAPTALDH1A1KDM4EHSD17B10HTT

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