SCHEMBL7971284

SCHEMBL7971284

O=C(NNC(=O)C(Cc1ccccc1)NC(=O)c1ccc2ccccc2c1)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 9/20 0.56
CMKLR2 P46091 1/20 0.56
CMKLR1 Q99788 1/20 0.56
ECE1 P42892 1/20 0.53
TACR1 P25103 1/20 0.50
CTSV O60911 1/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.50
PIN1 Q13526 2/20 0.49
METAP2 P50579 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
GRIA1 P42261 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
SCHEMBL7976449 0.91 USP30 (0.55) GPR132CMKLR2CMKLR1CTSLCTSS
SCHEMBL7973132 0.89 TACR1 (0.61) GPR132TACR1CTSLCTSBCTSS
SCHEMBL8116271 0.85 TACR1 (0.58) GPR132CMKLR2CMKLR1ECE1TACR1
SCHEMBL7972845 0.82 CYP3A4 (0.57) GPR132CMKLR2CMKLR1ECE1TACR1
SCHEMBL7415738 0.80 ECE1 (0.64) GPR132CMKLR2CMKLR1ECE1CTSV
SCHEMBL27520437 0.80 ECE1 (0.64) GPR132CMKLR2CMKLR1ECE1CTSV
SCHEMBL7976251 0.80 TACR1 (0.79) ECE1TACR1CTSLCTSBCTSS
SCHEMBL7978502 0.79 HDAC3 (0.56) GPR132CTSLCTSBCTSSPIN1
SCHEMBL15869689 0.79 ECE1 (0.62) GPR132CMKLR2CMKLR1ECE1CTSV
SCHEMBL23489730 0.79 ECE1 (0.65) GPR132CMKLR2CMKLR1ECE1CTSV

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