SCHEMBL8828076

SCHEMBL8828076

COc1cccc(N(CC(=O)N(C)c2ccccc2)C(=O)CN)c1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.48
MTNR1B P49286 5/20 0.48
HSD17B2 P37059 3/20 0.46
HSD17B1 P14061 2/20 0.46

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
SCHEMBL9134211 0.89 TSHR (0.43) MTNR1AMTNR1B
SCHEMBL9155738 0.87 LMNA (0.46) MTNR1AMTNR1B
SCHEMBL9134109 0.87 MTNR1A (0.48) MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL9134193 0.86 MTNR1A (0.43) MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL8032129 0.84 KMT2A (0.44) MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL17336421 0.84 HSD17B2 (0.56) MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL8860046 0.84 KMT2A (0.46)
SCHEMBL8030133 0.83 ALDH1A1 (0.45) MTNR1AMTNR1B
SCHEMBL9131869 0.83 ALDH1A1 (0.42) HSD17B2HSD17B1
SCHEMBL9135359 0.83 MTNR1A (0.46) MTNR1AMTNR1BHSD17B2HSD17B1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663204-A CHOLECYSTOKININ AND GASTRIN ANTAGONIST FOR APPETITE REGULATORS, GASTROINTESTINAL DISORDERS AND NERVOUS SYSTEM DISORDERS RHONE-POULENC RORER S.A. (FR) 1997-09-02 US disclosed
US-5625066-A Optically active hydroquinine (amino-3 phenyl)-1 ethanesulfonate, preparation and use thereof RHONE-POULENC RORER S.A. (FR) 1997-04-29 US disclosed
US-5523469-A REACTING ALKALI METAL SULFITE ON 1-(1-BROMOETHYL)-3-NITROBENZENE; CONVERSION TO POTASSIUM SALT; CONVERSION TO BENZYLQUINIUM SALT; THEN QUATERNIZATION RHONE-POULENC RORER S.A. (FR) 1996-06-04 US disclosed
US-5475106-A Agonist for cholecystokinin and gastrin receptors; nervous system, gastrointestinal disorders RHONE-POULENC RORER S.A. (FR) 1995-12-12 US disclosed