SCHEMBL8990983

SCHEMBL8990983

CCNC(=O)NCc1ccccc1-c1ccc(CN2Cc3ccccc3S[C@@H](NC(=O)C(C)(C)N)C2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.62
AGTR1 P30556 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
PTGER1 P34995 2/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
THRB P10828 1/20 0.32
AGTR2 P50052 1/20 0.32
PTGER3 P43115 1/20 0.32
MCHR1 Q99705 1/20 0.32
GRM2 Q14416 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC7 Q8WUI4 1/20 0.31

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
SCHEMBL8990941 0.93 GHSR (0.62) GHSRAGTR1LIPGPTGER1THRB
SCHEMBL8990951 0.93 GHSR (0.61) GHSRAGTR1MEN1KMT2ALIPG
SCHEMBL8990979 0.91 GHSR (0.51) GHSRAGTR1MEN1KMT2ALIPG
SCHEMBL8990780 0.91 GHSR (0.56) GHSRMEN1KMT2ALIPGOPRM1
SCHEMBL8990822 0.90 GHSR (0.55) GHSRMEN1KMT2AMCHR1
SCHEMBL8990886 0.90 GHSR (0.50) GHSRAGTR1MEN1KMT2ALIPG
SCHEMBL8990776 0.89 GHSR (0.47) GHSRAGTR1MEN1KMT2APTGER1
SCHEMBL8990974 0.86 GHSR (0.45) GHSRAGTR1MEN1KMT2AHDAC1
SCHEMBL8990967 0.86 GHSR (0.45) GHSRAGTR1MEN1KMT2AHDAC1
SCHEMBL8991128 0.86 GHSR (0.68) GHSRAGTR1MEN1KMT2APTGER1

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