SCHEMBL8990919

SCHEMBL8990919

CC(C)(N)C(=O)N[C@@H]1Sc2ccccc2CN(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 5/20 0.40
AGTR1 P30556 4/20 0.40
HDAC1 Q13547 2/20 0.32
HDAC7 Q8WUI4 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GRM2 Q14416 1/20 0.31
AGTR2 P50052 2/20 0.30
TBXA2R P21731 1/20 0.30
PTGER1 P34995 1/20 0.30
PTGER4 P35408 1/20 0.30
PTGFR P43088 1/20 0.30
PTGER3 P43115 1/20 0.30
PTGER2 P43116 1/20 0.30
PTGIR P43119 1/20 0.30
PTGDR Q13258 1/20 0.30

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
SCHEMBL9694552 0.92 GHSR (0.48) GHSRAGTR1HDAC1HDAC7MEN1
SCHEMBL8990860 0.92 GHSR (0.48) GHSRAGTR1HDAC1HDAC7MEN1
SCHEMBL8990884 0.91 GHSR (0.36) GHSRAGTR1GRM2
SCHEMBL8990728 0.85 GHSR (0.42) GHSRAGTR1
SCHEMBL8990937 0.84 AGTR1 (0.38) GHSRAGTR1
SCHEMBL8990776 0.84 GHSR (0.47) GHSRAGTR1HDAC1HDAC7MEN1
SCHEMBL8990823 0.82 AGTR1 (0.42) GHSRAGTR1
SCHEMBL8990979 0.81 GHSR (0.51) GHSRAGTR1HDAC1HDAC7MEN1
SCHEMBL8990974 0.81 GHSR (0.45) GHSRAGTR1HDAC1HDAC7MEN1
SCHEMBL8990967 0.81 GHSR (0.45) GHSRAGTR1HDAC1HDAC7MEN1

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