SCHEMBL8990809

SCHEMBL8990809

Cc1cccc(-c2ccc(CN3Cc4ccc(C(F)(F)F)cc4C[C@@H](NC(=O)CC(C)(C)NC[C@H](O)CO)C3=O)cc2)c1O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.37
SMO Q99835 4/20 0.33
OPRM1 P35372 3/20 0.33
OPRD1 P41143 1/20 0.32
AGTR2 P50052 1/20 0.32
ACACB O00763 1/20 0.31
AGTR1 P30556 1/20 0.31
GHSR Q92847 1/20 0.31

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
SCHEMBL8991095 0.89 TACR1 (0.41) TACR1ACACBAGTR1GHSR
SCHEMBL8990768 0.85 GHSR (0.43) TACR1OPRM1OPRD1AGTR1GHSR
SCHEMBL8990851 0.80 TACR1 (0.38) TACR1OPRM1OPRD1AGTR1GHSR
SCHEMBL8990911 0.78 SMN1; SMN2 (0.35) TACR1OPRM1OPRD1AGTR1GHSR
SCHEMBL8991030 0.78 GHSR (0.38) TACR1OPRM1OPRD1AGTR1GHSR
SCHEMBL8990738 0.77 AGTR1 (0.36) TACR1OPRM1AGTR1GHSR
SCHEMBL8990862 0.77 GHSR (0.45) TACR1OPRM1AGTR1GHSR
SCHEMBL8991037 0.77 GHSR (0.44) TACR1OPRM1OPRD1AGTR1GHSR
SCHEMBL8991035 0.77 MME (0.36) TACR1OPRM1OPRD1AGTR1GHSR
SCHEMBL8990771 0.76 GHSR (0.42) TACR1OPRM1OPRD1AGTR1GHSR

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