SCHEMBL8991095

SCHEMBL8991095

CC(C)(CC(=O)N[C@@H]1Cc2cc(C(F)(F)F)ccc2CN(Cc2ccc(-c3ccccc3CO)cc2)C1=O)NC[C@H](O)CO

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.41
FPR1 P21462 4/20 0.36
FPR2 P25090 4/20 0.36
GHSR Q92847 3/20 0.33
AGTR1 P30556 1/20 0.33
HSD17B3 P37058 1/20 0.33
APOB P04114 3/20 0.32
MTTP P55157 2/20 0.32
DPP4 P27487 1/20 0.32
ACACB O00763 1/20 0.32

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
SCHEMBL8990768 0.92 GHSR (0.43) TACR1FPR1FPR2GHSRAGTR1
SCHEMBL8990851 0.91 TACR1 (0.38) TACR1GHSRAGTR1
SCHEMBL8990809 0.89 TACR1 (0.37) TACR1GHSRAGTR1ACACB
SCHEMBL8991087 0.84 TACR1 (0.39) TACR1GHSRAGTR1
SCHEMBL8991030 0.84 GHSR (0.38) TACR1GHSRAGTR1
SCHEMBL8990862 0.83 GHSR (0.45) TACR1GHSRAGTR1
SCHEMBL8991037 0.83 GHSR (0.44) TACR1GHSRAGTR1
SCHEMBL8990871 0.83 MTNR1A (0.34) TACR1GHSRAGTR1
SCHEMBL8990771 0.83 GHSR (0.42) TACR1GHSRAGTR1
SCHEMBL8991025 0.82 GHSR (0.48) TACR1GHSRAGTR1

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 claimed