SCHEMBL6947598

SCHEMBL6947598

COc1ccccc1CNC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(N2CCCCC2)CC1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.74

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
SCHEMBL30307065 0.89 TACR1 (0.72) TACR1
SCHEMBL2997671 0.89 TACR1 (0.72) TACR1
SCHEMBL23629620 0.89 TACR1 (0.72) TACR1
Water SCHEMBL7834521 0.88 TACR1 (0.71) TACR1
Hydrochloric Acid SCHEMBL7823238 0.88 TACR1 (0.71) TACR1
Hydrochloric Acid SCHEMBL7833330 0.88 TACR1 (0.70) TACR1
Oxalic Acid SCHEMBL8748967 0.87 TACR1 (0.69) TACR1
SCHEMBL7743767 0.86 TACR1 (0.68) TACR1
Lanepitant SCHEMBL14421491 0.85 TACR1 (1.00) TACR1
Lanepitant SCHEMBL6904907 0.85 TACR1 (1.00) TACR1

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