SCHEMBL7846970

SCHEMBL7846970

CC(NC(=O)C(C)(Cc1c[nH]c2ccccc12)NCc1cc2ccccc2o1)c1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.65
TACR3 P29371 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
SCHEMBL7067956 0.92 TACR1 (0.67) TACR1TACR3
SCHEMBL7062087 0.91 TACR1 (0.76) TACR1TACR3
SCHEMBL7067703 0.88 TACR1 (0.68) TACR1TACR3
SCHEMBL7846815 0.88 TACR1 (0.68) TACR1TACR3
SCHEMBL7067244 0.85 TACR1 (0.62) TACR1TACR3
SCHEMBL7066516 0.84 TACR1 (0.64) TACR1TACR3
SCHEMBL7067242 0.83 TACR1 (0.62) TACR1TACR3
SCHEMBL7847443 0.83 TACR1 (0.62) TACR1TACR3
SCHEMBL7062350 0.82 TACR1 (0.76) TACR1TACR3
SCHEMBL7066193 0.81 TACR1 (0.60) TACR1TACR3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140914-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
WO-2000037462-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-06-29 WO disclosed