SCHEMBL15215566

SCHEMBL15215566

C=C1CC2C(c3ccccc3C)N(C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCN2C1=O

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.51

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
SCHEMBL15212699 0.85 TACR1 (0.53) TACR1
SCHEMBL15215456 0.83 TACR1 (0.51) TACR1
SCHEMBL15212799 0.82 TACR1 (0.56) TACR1
SCHEMBL15212930 0.81 TACR1 (0.51) TACR1
SCHEMBL15215494 0.81 TACR1 (0.56) TACR1
SCHEMBL17243748 0.81 TACR1 (0.51) TACR1
SCHEMBL15212609 0.81 TACR1 (0.51) TACR1
SCHEMBL17233199 0.81 TACR1 (0.49) TACR1
SCHEMBL17243758 0.81 TACR1 (0.51) TACR1
SCHEMBL15215495 0.81 TACR1 (0.50) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2817312-B1 NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS LEO PHARMA AS (DK) 2016-02-17 EP claimed
US-9181259-B2 Substituted pyrrolo[1,2-a]piperazines and pyrrolo[1,2-a][1,4]diazepines as neurokinin 1 receptor antagonists LEO PHARMA A/S (DK) 2015-11-10 US claimed
EP-2817312-B1 NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS LEO PHARMA AS (DK) 2016-02-17 EP disclosed
EP-2817312-B1 NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS LEO PHARMA AS (DK) 2016-02-17 EP disclosed
US-9181259-B2 Substituted pyrrolo[1,2-a]piperazines and pyrrolo[1,2-a][1,4]diazepines as neurokinin 1 receptor antagonists LEO PHARMA A/S (DK) 2015-11-10 US disclosed
US-9181259-B2 Substituted pyrrolo[1,2-a]piperazines and pyrrolo[1,2-a][1,4]diazepines as neurokinin 1 receptor antagonists LEO PHARMA A/S (DK) 2015-11-10 US disclosed
US-9181259-B2 Substituted pyrrolo[1,2-a]piperazines and pyrrolo[1,2-a][1,4]diazepines as neurokinin 1 receptor antagonists LEO PHARMA A/S (DK) 2015-11-10 US disclosed
WO-2013124286-A1 NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS LEO PHARMA A/S (DK) 2013-08-29 WO disclosed