SCHEMBL4080426

SCHEMBL4080426

Cc1cc(CNCCC(C)C)ccc1-c1ccc(C(N)=O)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.48
OPRK1 P41145 4/20 0.48
OPRD1 P41143 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
HDAC1 Q13547 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CA2 P00918 1/20 0.38
DPP4 P27487 2/20 0.38
F3 P13726 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
ALPL P05186 1/20 0.35
F7 P08709 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4075641 0.92 OPRM1 (0.52) OPRM1OPRK1OPRD1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4475141 0.91 OPRM1 (0.51) OPRM1OPRK1OPRD1SMN1; SMN2LMNA
SCHEMBL4496256 0.86 OPRM1 (0.52) OPRM1OPRK1OPRD1SMN1; SMN2LMNA
SCHEMBL4074422 0.85 OPRM1 (0.44) OPRM1OPRK1OPRD1SMN1; SMN2LMNA
SCHEMBL4073644 0.83 OPRM1 (0.53) OPRM1OPRK1OPRD1SMN1; SMN2HDAC1
SCHEMBL1347921 0.82 OPRM1 (0.46) OPRM1OPRK1OPRD1HDAC1CA2
Hydrochloric Acid SCHEMBL4073979 0.82 OPRM1 (0.52) OPRM1OPRK1OPRD1SMN1; SMN2HDAC1
SCHEMBL13633134 0.79 OPRK1 (0.41) OPRM1OPRK1OPRD1SMN1; SMN2LMNA
SCHEMBL4253659 0.79 OPRM1 (0.46) OPRM1OPRK1OPRD1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4072865 0.78 OPRK1 (0.40) OPRM1OPRK1OPRD1SMN1; SMN2LMNA

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