SCHEMBL8991083

SCHEMBL8991083

CNC(=O)NCc1ccccc1-c1ccc(CN2Cc3ccc(F)cc3S[C@@H](NC(=O)CC(C)(C)NC[C@H](O)CO)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.43
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
ADRB3 P13945 2/20 0.33
KCNA5 P22460 3/20 0.32
KCNH2 Q12809 1/20 0.32
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30
LIPG Q9Y5X9 1/20 0.30
CASR P41180 1/20 0.30

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
SCHEMBL8990957 0.94 GHSR (0.43) GHSRKCNA5KCNH2DRD2DRD4
SCHEMBL8990881 0.94 GHSR (0.44) GHSRKCNA5KCNH2DRD2DRD4
SCHEMBL8990873 0.94 GHSR (0.43) GHSRADRB2ADRB1ADRB3KCNA5
SCHEMBL8990853 0.93 GHSR (0.37) GHSRADRB2ADRB1ADRB3KCNA5
SCHEMBL8990923 0.92 GHSR (0.47) GHSRADRB2ADRB1ADRB3
SCHEMBL8990894 0.90 SMN1; SMN2 (0.34) GHSRADRB2ADRB1ADRB3CASR
SCHEMBL8990767 0.89 GHSR (0.48) GHSRKCNA5KCNH2DRD2DRD4
SCHEMBL8990759 0.87 GHSR (0.48) GHSRDRD2DRD4DRD3
SCHEMBL8990751 0.87 GHSR (0.47) GHSROPRM1OPRD1OPRK1OPRL1
SCHEMBL8990948 0.86 GHSR (0.47) GHSR

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