SCHEMBL6928547

SCHEMBL6928547

COc1ccccc1N1CCN(C(=O)CCc2c(-c3ccc(Cl)c(Cl)c3)[nH]c3ccccc23)CC1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.82

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
SCHEMBL6922478 0.87 TACR1 (1.00) TACR1
SCHEMBL6926601 0.85 TACR1 (1.00) TACR1
SCHEMBL6925884 0.84 TACR1 (1.00) TACR1
Hydrochloric Acid SCHEMBL6928393 0.83 TACR1 (0.92) TACR1
SCHEMBL6928161 0.83 TACR1 (1.00) TACR1
SCHEMBL11829657 0.82 TACR1 (0.73) TACR1
SCHEMBL6929131 0.82 TACR1 (0.72) TACR1
SCHEMBL6923208 0.81 TACR1 (1.00) TACR1
SCHEMBL6925888 0.80 TACR1 (1.00) TACR1
SCHEMBL6929085 0.79 TACR1 (0.59) 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
US-6518273-B1 2-aryl indole derivative as antagonists of tachykinins MERCK SHARP & DOHME LTD. 2003-02-11 US disclosed
WO-2000051984-A1 2-ARYL INDOLE DERIVATIVES AS ANTAGONISTS OF TACHYKININS MERCK SHARP & DOHME LIMITED (GB) 2000-09-08 WO disclosed