SCHEMBL7972845

SCHEMBL7972845

O=C(COc1ccccc1)NC(Cc1ccccc1)C(=O)NNC(=O)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.57
GAA P10253 1/20 0.57
CYP2C19 P33261 1/20 0.57
GPR132 Q9UNW8 10/20 0.56
CMKLR2 P46091 1/20 0.56
CMKLR1 Q99788 1/20 0.56
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TACR1 P25103 1/20 0.53
RAB9A P51151 1/20 0.51
ECE1 P42892 1/20 0.50
GPR34 Q9UPC5 1/20 0.48
NOTUM Q6P988 1/20 0.48

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
SCHEMBL7976180 0.93 GAA (0.57) CYP3A4GAACYP2C19GPR132CMKLR2
SCHEMBL7973309 0.89 TACR1 (0.65) GPR132MEN1KMT2ATACR1GPR34
SCHEMBL8116271 0.85 TACR1 (0.58) CYP3A4GAACYP2C19GPR132CMKLR2
SCHEMBL7976251 0.82 TACR1 (0.79) KMT2ATACR1ECE1
SCHEMBL7971284 0.82 GPR132 (0.56) GPR132CMKLR2CMKLR1MEN1KMT2A
SCHEMBL7969746 0.81 HDAC8 (0.66) GAAKDM4EMAPTMEN1KMT2A
SCHEMBL8121348 0.78 USP30 (0.56) CYP3A4GAACYP2C19GPR132KDM4E
SCHEMBL7970040 0.78 TACR1 (0.67) CYP3A4MAPTKMT2ATACR1
SCHEMBL7973319 0.77 HDAC8 (0.58) MEN1KMT2AGPR34
SCHEMBL3562537 0.76 HDAC8 (0.61) MEN1KMT2AGPR34

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271247-B1 BINDING TO NEUROPEPTIDE RECEPTORS ADIR ET COMPAGNIE (FR) 2001-08-07 US disclosed
US-6172108-B1 NEUROPEPTIDE Y RECEPTOR LIGANDS; TREATING PSYCHOLOGICAL, EATING, SLEEP, AND SEXUAL DISORDERS; HYPOTENSIVE, ANXIOLYTIC, ANTIDEPRESSANT, AND ANTIDIABETIC AGENTS ADIR ET COMPAGNIE (FR) 2001-01-09 US disclosed
EP-1010691-A2 Hydrazide derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-06-21 EP disclosed