SCHEMBL8990780

SCHEMBL8990780

CCNC(=O)NCc1ccccc1-c1ccc(CN2Cc3ccc(F)cc3S[C@@H](NC(=O)C(C)(C)N)C2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.56
KCNA5 P22460 6/20 0.36
KCNH2 Q12809 1/20 0.36
OPRM1 P35372 3/20 0.35
OPRK1 P41145 3/20 0.35
OPRL1 P41146 3/20 0.35
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
DRD3 P35462 2/20 0.34
ALOX5 P09917 1/20 0.33
EPHX2 P34913 1/20 0.33
MLNR O43193 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
OPRD1 P41143 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL8991013 0.94 GHSR (0.56) GHSRKCNA5KCNH2OPRM1OPRK1
SCHEMBL8990935 0.94 GHSR (0.55) GHSRKCNA5KCNH2OPRM1OPRK1
SCHEMBL8990887 0.92 GHSR (0.46) GHSRKCNA5KCNH2OPRM1OPRK1
SCHEMBL8990983 0.91 GHSR (0.62) GHSROPRM1OPRK1OPRL1LIPG
SCHEMBL8990822 0.90 GHSR (0.55) GHSRKCNA5KCNH2DRD2DRD4
SCHEMBL8991044 0.86 GHSR (0.60) GHSRKCNA5KCNH2OPRM1OPRK1
SCHEMBL8990767 0.86 GHSR (0.48) GHSRKCNA5KCNH2OPRM1OPRK1
SCHEMBL8990957 0.86 GHSR (0.43) GHSRKCNA5KCNH2OPRM1OPRK1
SCHEMBL8990941 0.84 GHSR (0.62) GHSRDRD2DRD4DRD3LIPG
SCHEMBL8990951 0.84 GHSR (0.61) GHSRLIPGMEN1KMT2A

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