SCHEMBL7470666

SCHEMBL7470666

CCOC(=O)c1ccc(N2CCC[C@H](Nc3ncccn3)C2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.49
CASP3 P42574 1/20 0.42
MAPT P10636 3/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
HSD11B1 P28845 1/20 0.41
DGAT1 O75907 1/20 0.41
CCNT1 O60563 1/20 0.40
CCNK O75909 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK7 P50613 1/20 0.40
CDK9 P50750 1/20 0.40
CCNH P51946 1/20 0.40
CDK13 Q14004 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL7466048 0.91 OPRK1 (0.51) OPRK1CASP3MAPTCCNT1CCNK
SCHEMBL7050644 0.89 OPRK1 (0.49) OPRK1MAPTTSHRKDM4EGAA
SCHEMBL7466392 0.86 OPRK1 (0.47) OPRK1MAPTMAPK1HTTTSHR
SCHEMBL7463196 0.85 PPARA (0.41) DGAT1CCNT1CCNKCCNA2CDK2
SCHEMBL7054705 0.84 OPRK1 (0.49) OPRK1MAPTMAPK1HTTCCNK
SCHEMBL7468246 0.84 OPRK1 (0.49) OPRK1MAPTMAPK1HTTCCNK
SCHEMBL7470661 0.80 OPRK1 (0.42) OPRK1CASP3MAPTMAPK1HTT
SCHEMBL7463266 0.79 PRKD3 (0.47) MAPTMAPK1HTTTSHRKDM4E
SCHEMBL382149 0.78 OPRK1 (0.51) OPRK1MAPTMAPK1HTTDGAT1
SCHEMBL383015 0.78 OPRK1 (0.51) OPRK1MAPTMAPK1HTTDGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 EP disclosed