SCHEMBL8990949

SCHEMBL8990949

CSc1ccc2c(c1)C[C@@H](NC(=O)CC(C)(C)N)C(=O)N(Cc1ccc(-c3ccccc3CO)cc1)C2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.43
AGTR1 P30556 1/20 0.43
TACR1 P25103 2/20 0.36
OPRM1 P35372 2/20 0.34
OPRD1 P41143 1/20 0.34
MMP2 P08253 1/20 0.33
HSD17B3 P37058 1/20 0.33
KMT2A Q03164 1/20 0.33
FPR1 P21462 1/20 0.32
FPR2 P25090 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
SCHEMBL8990785 0.92 GHSR (0.41) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8990944 0.90 GHSR (0.51) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8991082 0.88 GHSR (0.41) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8991075 0.86 GHSR (0.46) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8991057 0.86 GHSR (0.40) GHSRAGTR1MMP2HSD17B3KMT2A
SCHEMBL8991051 0.84 GHSR (0.49) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8990927 0.82 GHSR (0.58) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8990764 0.82 GHSR (0.59) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8990832 0.82 GHSR (0.37) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8990994 0.81 GHSR (0.42) GHSRAGTR1TACR1OPRM1OPRD1

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 3 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
WO-1995009633-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-04-13 WO disclosed