SCHEMBL7463196

SCHEMBL7463196

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.41
CNR1 P21554 1/20 0.41
NOTUM Q6P988 1/20 0.40
EPHX2 P34913 1/20 0.40
AVPR2 P30518 3/20 0.40
CCNT1 O60563 3/20 0.40
CCNA2 P20248 3/20 0.40
CDK2 P24941 3/20 0.40
CDK7 P50613 3/20 0.40
CDK9 P50750 3/20 0.40
CCNH P51946 3/20 0.40
CCNK O75909 2/20 0.40
CDK13 Q14004 2/20 0.40
CDK12 Q9NYV4 2/20 0.40
MNAT1 P51948 1/20 0.40
PPARD Q03181 2/20 0.40
DGAT1 O75907 1/20 0.39
KAT2B Q92831 1/20 0.39
CASR P41180 1/20 0.39
PPARG P37231 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
SCHEMBL7051591 0.87 ITGB3 (0.46) PPARAPPARDCASRPPARGMAPK8
SCHEMBL7469681 0.85 NOTUM (0.43) NOTUMDRD2DRD3
SCHEMBL7470666 0.85 OPRK1 (0.49) CCNT1CCNA2CDK2CDK7CDK9
SCHEMBL7463214 0.82 CASR (0.54) PPARACNR1CASRDRD2DRD3
SCHEMBL7053339 0.82 CASR (0.54) PPARACNR1CASRDRD2DRD3
SCHEMBL6498986 0.81 KDM4E (0.54) PPARACCNKCDK12PPARDCASR
SCHEMBL6497606 0.81 KDM4E (0.54) PPARACCNKCDK12PPARDCASR
SCHEMBL7468836 0.80 EPHX2 (0.41) PPARANOTUMEPHX2CCNT1CCNA2
SCHEMBL7467132 0.79 CASR (0.51) PPARACASRDRD2DRD3
SCHEMBL7461777 0.78 ITGB3 (0.65)

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