SCHEMBL4481852

SCHEMBL4481852

Cc1cc(C(N)=O)ccc1-c1ccc(CNCCC2CCOCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.57
OPRD1 P41143 3/20 0.57
OPRK1 P41145 3/20 0.57
CHUK O15111 3/20 0.41
MAPK8 P45983 3/20 0.41
CAMKK2 Q96RR4 3/20 0.41
INSR P06213 2/20 0.41
EGLN1 Q9GZT9 1/20 0.38
MAPK1 P28482 2/20 0.37
CHEK2 O96017 1/20 0.37
OXTR P30559 3/20 0.37
AVPR1A P37288 3/20 0.37
AVPR2 P30518 1/20 0.37
AVPR1B P47901 1/20 0.37
RARB P10826 1/20 0.36
MAPK14 Q16539 3/20 0.36
ALDH1A1 P00352 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
OPRL1 P41146 1/20 0.36

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
SCHEMBL4071701 0.93 OPRM1 (0.47) OPRM1OPRD1OPRK1RARBMAPK14
SCHEMBL4483783 0.92 OPRM1 (0.56) OPRM1OPRD1OPRK1CHUKMAPK8
SCHEMBL4083677 0.88 OPRM1 (0.57) OPRM1OPRD1OPRK1MAPK1CHEK2
SCHEMBL4256842 0.85 OPRM1 (0.45) OPRM1OPRD1OPRK1EGLN1CHEK2
SCHEMBL4074406 0.85 OPRM1 (0.46) OPRM1OPRD1OPRK1EGLN1CHEK2
SCHEMBL4075945 0.82 OPRM1 (0.57) OPRM1OPRD1OPRK1MAPK1CHEK2
SCHEMBL4492023 0.82 OPRM1 (0.45) OPRM1OPRD1OPRK1CHUKMAPK8
SCHEMBL1790195 0.79 OPRM1 (0.41) OPRM1OPRD1OPRK1OXTRAVPR1A
SCHEMBL4078358 0.78 OPRM1 (0.51) OPRM1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL3342460 0.78 OPRM1 (0.41) OPRM1OPRD1OPRK1OXTRAVPR1A

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
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US claimed