SCHEMBL8990853

SCHEMBL8990853

CC(C)(CC(=O)N[C@@H]1Sc2cc(F)ccc2CN(Cc2ccc(-c3ccccc3CNC(N)=O)cc2)C1=O)NC[C@H](O)CO

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.37
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
AGTR1 P30556 1/20 0.31
CASR P41180 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30
PRF1 P14222 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
SCHEMBL8991083 0.93 GHSR (0.43) GHSRADRB2ADRB1ADRB3KCNA5
SCHEMBL8990881 0.93 GHSR (0.44) GHSRKCNA5KCNH2
SCHEMBL8990957 0.93 GHSR (0.43) GHSRKCNA5KCNH2OPRM1OPRK1
SCHEMBL8990997 0.92 GHSR (0.40) GHSRADRB2ADRB1ADRB3AGTR1
SCHEMBL8990891 0.91 GHSR (0.36) GHSRAGTR1
SCHEMBL8990873 0.88 GHSR (0.43) GHSRADRB2ADRB1ADRB3KCNA5
SCHEMBL8991030 0.87 GHSR (0.38) GHSRAGTR1OPRM1OPRK1OPRL1
SCHEMBL8990840 0.86 GHSR (0.41) GHSRAGTR1
SCHEMBL8990887 0.86 GHSR (0.46) GHSRKCNA5KCNH2OPRM1OPRK1
SCHEMBL8990981 0.86 GHSR (0.34) GHSRADRB2ADRB1ADRB3CASR

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