SCHEMBL4081673

SCHEMBL4081673

Cc1cc(C(N)=O)ccc1-c1cc(F)c(CNCCC(C)C)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
F3 P13726 1/20 0.36
DPP4 P27487 3/20 0.35
FFAR1 O14842 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
HDAC1 Q13547 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GCGR P47871 1/20 0.33
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
KCNA5 P22460 1/20 0.32
CA2 P00918 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL4079230 0.86 OPRM1 (0.40) OPRM1OPRD1OPRK1F3DPP4
SCHEMBL4075641 0.82 OPRM1 (0.52) OPRM1OPRD1OPRK1F3DPP4
SCHEMBL4078534 0.81 OPRM1 (0.41) OPRM1OPRD1OPRK1F3DPP4
Hydrochloric Acid SCHEMBL4475141 0.81 OPRM1 (0.51) OPRM1OPRD1OPRK1F3DPP4
Hydrochloric Acid SCHEMBL4074231 0.80 OPRM1 (0.41) OPRM1OPRD1OPRK1F3DPP4
SCHEMBL4083769 0.80 OPRM1 (0.42) OPRM1OPRD1OPRK1F3HDAC1
Hydrochloric Acid SCHEMBL4075476 0.80 OPRM1 (0.40) OPRM1OPRD1OPRK1F3DPP4
SCHEMBL13633134 0.78 OPRK1 (0.41) OPRM1OPRD1OPRK1F3HDAC1
SCHEMBL4249213 0.78 OPRM1 (0.48) OPRM1OPRD1OPRK1F3DPP4
Hydrochloric Acid SCHEMBL4072865 0.77 OPRK1 (0.40) OPRM1OPRD1OPRK1F3HDAC1

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