SCHEMBL8790098

SCHEMBL8790098

[CH2]C(NC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1cc2ccccc2o1)c1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.84

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
SCHEMBL29870363 0.92 TACR1 (1.00) TACR1
SCHEMBL6827800 0.92 TACR1 (1.00) TACR1
SCHEMBL7847110 0.92 TACR1 (1.00) TACR1
SCHEMBL2139814 0.92 TACR1 (1.00) TACR1
SCHEMBL8504774 0.85 TACR1 (0.75) TACR1
SCHEMBL7438201 0.84 TACR1 (0.73) TACR1
SCHEMBL7062350 0.78 TACR1 (0.76) TACR1
SCHEMBL7062087 0.78 TACR1 (0.76) TACR1
SCHEMBL8101033 0.77 TACR1 (0.78) TACR1
SCHEMBL9387393 0.77 TACR1 (0.81) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0764163-A1 TACHYKININ (NK 1) RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-03-26 EP claimed
WO-1995033744-A1 TACHYKININ (NK1) RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1995-12-14 WO claimed