SCHEMBL8991087

SCHEMBL8991087

C[C@@H](O)CNC(C)(C)CC(=O)N[C@@H]1Cc2ccccc2CN(Cc2ccc(-c3ccccc3CO)cc2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.39
GHSR Q92847 4/20 0.38
AGTR1 P30556 1/20 0.38
ACE P12821 3/20 0.37
MME P08473 2/20 0.37
OPRM1 P35372 2/20 0.36
OPRD1 P41143 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
MMP2 P08253 1/20 0.35

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
SCHEMBL8990851 0.93 TACR1 (0.38) TACR1GHSRAGTR1ACEMME
SCHEMBL8990763 0.91 GHSR (0.42) TACR1GHSRAGTR1ACEMME
SCHEMBL8990871 0.91 MTNR1A (0.34) TACR1GHSRAGTR1
SCHEMBL8990946 0.91 GHSR (0.40) TACR1GHSRAGTR1ACEMME
SCHEMBL8991017 0.91 GHSR (0.49) TACR1GHSRAGTR1ACEMME
SCHEMBL8990953 0.90 GHSR (0.51) TACR1GHSRAGTR1ACEMME
SCHEMBL8990925 0.90 GHSR (0.49) TACR1GHSRAGTR1ACEMME
SCHEMBL8991127 0.87 MME (0.36) TACR1GHSRAGTR1ACEMME
SCHEMBL8990984 0.86 AGTR1 (0.41) TACR1GHSRAGTR1ACEMME
SCHEMBL8990916 0.86 GHSR (0.39) TACR1GHSRAGTR1ACEMME

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