SCHEMBL8991044

SCHEMBL8991044

CCNC(=O)NCc1ccccc1-c1ccc(CN2Cc3ccc(F)cc3C[C@@H](NC(=O)C(C)(C)N)C2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.60
OPRM1 P35372 3/20 0.38
OPRK1 P41145 2/20 0.38
OPRL1 P41146 2/20 0.38
TACR1 P25103 2/20 0.37
FNTA P49354 3/20 0.36
FNTB P49356 3/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
KCNA5 P22460 3/20 0.34
KCNH2 Q12809 1/20 0.34
BDKRB1 P46663 1/20 0.33
ALOX5 P09917 1/20 0.33
EPHX2 P34913 1/20 0.33
MCHR1 Q99705 1/20 0.33
OPRD1 P41143 1/20 0.33

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
SCHEMBL8990958 0.94 GHSR (0.61) GHSROPRM1OPRK1OPRL1TACR1
SCHEMBL8991034 0.93 GHSR (0.60) GHSROPRM1OPRK1OPRL1TACR1
SCHEMBL8991024 0.92 GHSR (0.51) GHSROPRM1OPRK1OPRL1TACR1
SCHEMBL8991128 0.92 GHSR (0.68) GHSROPRM1TACR1FNTAFNTB
SCHEMBL8990764 0.90 GHSR (0.59) GHSROPRM1TACR1MCHR1OPRD1
SCHEMBL8990780 0.86 GHSR (0.56) GHSROPRM1OPRK1OPRL1DRD2
SCHEMBL8990829 0.86 GHSR (0.52) GHSROPRM1OPRK1OPRL1TACR1
SCHEMBL8991008 0.85 GHSR (0.44) GHSROPRM1OPRK1OPRL1TACR1
SCHEMBL8990939 0.85 GHSR (0.68) GHSROPRM1TACR1FNTAFNTB
SCHEMBL8991037 0.85 GHSR (0.44) GHSROPRM1OPRK1OPRL1TACR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US claimed
US-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US disclosed