SCHEMBL4073259

SCHEMBL4073259

Cc1cc(C(N)=O)ccc1-c1ccc(CNCC2Cc3ccccc3O2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH1 P35367 1/20 0.40
ALDH1A1 P00352 1/20 0.40
DRD2 P14416 8/20 0.39
DRD4 P21917 8/20 0.39
DRD3 P35462 8/20 0.39
DRD1 P21728 2/20 0.39
DRD5 P21918 2/20 0.39
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL4075498 0.86 OPRM1 (0.43) HTR1DOPRM1OPRD1OPRK1
SCHEMBL4487434 0.79 SMN1; SMN2 (0.50) ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL4084233 0.79 OPRM1 (0.57) HTR1DOPRM1OPRD1OPRK1
SCHEMBL4074968 0.74 OPRM1 (0.60) MEN1KMT2AALDH1A1OPRM1OPRD1
SCHEMBL8035957 0.73 DRD2 (0.53) ALDH1A1DRD2DRD4DRD3DRD1
SCHEMBL4071701 0.73 OPRM1 (0.47) HTR1DOPRM1OPRD1OPRK1
SCHEMBL4485862 0.73 KDM4E (0.48) ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL4501428 0.73 KDM4E (0.48) ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL4490082 0.73 KDM4E (0.48) ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL4073993 0.72 SCN3A (0.42) MEN1KMT2AALDH1A1

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
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US claimed
EP-2084127-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF Pfizer Products Inc. (US) 2009-08-05 EP claimed
WO-2008059335-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-05-22 WO claimed