SCHEMBL6950194

SCHEMBL6950194

COc1ccccc1CN(CC(Cc1ccccc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)=O

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.58

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
SCHEMBL7086324 0.85 TACR1 (0.69) TACR1
SCHEMBL6307084 0.85 TACR1 (0.69) TACR1
SCHEMBL6951934 0.83 TACR1 (0.57) TACR1
SCHEMBL6950191 0.75 HPGD (0.49)
SCHEMBL6953117 0.74 MEN1 (0.54)
SCHEMBL6949606 0.69 MEN1 (0.43)
SCHEMBL8819460 0.69 TACR1 (0.52) TACR1
SCHEMBL8819445 0.69 TACR1 (0.52) TACR1
SCHEMBL11329375 0.66 ACHE (0.55)
SCHEMBL5794635 0.66 MAPK1 (0.47)

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
EP-0699665-B1 Imidazoline derivatives, their preparation and their use as tachykinin receptor antagonists LILLY CO ELI (US) 2003-03-05 EP disclosed
US-6175013-B1 1-(2-METHOXYBENZYL)-2-((4-PHENYL-1-PIPERAZINYL)METHYL)-4-(1H -INDOL-3-YLMETHYL)-2-IMIDAZOLINE, FOR EXAMPLE; ADMINSTERING TO TREAT ANXIETY, DEPRESSION, PSYCHOSIS, AND SCHIZOPHRENIA ELI LILLY AND COMPANY 2001-01-16 US disclosed
EP-0699665-A1 Imidazoline derivatives, their preparation and their use as tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-03-06 EP disclosed