SCHEMBL6928276

SCHEMBL6928276

Cn1c(-c2ccc(Cl)cc2)c(CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c2cc(Cl)ccc21

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.75

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
SCHEMBL6927243 0.85 TACR1 (0.84) TACR1
SCHEMBL6924338 0.83 TACR1 (0.75) TACR1
SCHEMBL7571859 0.81 TACR1 (1.00) TACR1
SCHEMBL6922756 0.81 TACR1 (1.00) TACR1
SCHEMBL6926943 0.80 TACR1 (0.82) TACR1
SCHEMBL6926023 0.79 TACR1 (0.69) TACR1
SCHEMBL7796972 0.78 TACR1 (1.00) TACR1
SCHEMBL6926561 0.77 TACR1 (0.65) TACR1
SCHEMBL6928199 0.77 TACR1 (0.65) TACR1
SCHEMBL7790361 0.76 TACR1 (0.61) 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