SCHEMBL6948456

SCHEMBL6948456

O=C(CN1CCN(c2ccccc2)CC1)NC(CNCc1ccccc1C(F)(F)F)Cc1c[nH]c2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.76

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
SCHEMBL6305771 0.88 TACR1 (0.79) TACR1
SCHEMBL6949521 0.88 TACR1 (0.79) TACR1
SCHEMBL6307002 0.86 TACR1 (1.00) TACR1
SCHEMBL6947689 0.86 TACR1 (1.00) TACR1
SCHEMBL6952460 0.86 TACR1 (1.00) TACR1
SCHEMBL7743085 0.86 TACR1 (0.66) TACR1
SCHEMBL6951087 0.82 TACR1 (0.80) TACR1
SCHEMBL6307176 0.81 TACR1 (0.70) TACR1
SCHEMBL6948458 0.81 TACR1 (0.51) TACR1
SCHEMBL6953019 0.81 TACR1 (0.78) 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