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SCHEMBL8991082

SCHEMBL8991082

CNC(=O)Nc1ccccc1-c1ccc(CN2Cc3ccc(SC)cc3C[C@@H](NC(=O)CC(C)(C)N)C2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 4/20 0.41
▸ AGTR1 P30556 1/20 0.41
▸ TACR1 P25103 1/20 0.33
▸ OPRM1 P35372 5/20 0.33
▸ OPRD1 P41143 3/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ HDAC1 Q13547 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
SCHEMBL8990828 0.92 GHSR (0.44) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8990897 0.90 GHSR (0.47) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8990843 0.88 GHSR (0.32) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8990949 0.88 GHSR (0.43) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8990793 0.87 GHSR (0.38) GHSRAGTR1KMT2AHDAC1
SCHEMBL8990785 0.84 GHSR (0.41) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8990803 0.84 GHSR (0.41) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8990944 0.84 GHSR (0.51) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8991075 0.83 GHSR (0.46) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8991003 0.82 GHSR (0.51) 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 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