SCHEMBL6925910

SCHEMBL6925910

CN1CCN(C(=O)CCc2c(-c3ccc(Cl)cc3)n(C)c3ccc(Cl)cc23)C[C@@H]1Cc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.74

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
SCHEMBL8231829 1.00 TACR1 (0.74) TACR1
SCHEMBL6922756 0.84 TACR1 (1.00) TACR1
SCHEMBL6922765 0.80 TACR1 (1.00) TACR1
SCHEMBL7573137 0.79 TACR1 (1.00) TACR1
SCHEMBL7796972 0.79 TACR1 (1.00) TACR1
SCHEMBL7797004 0.79 TACR1 (1.00) TACR1
SCHEMBL6922771 0.79 TACR1 (0.73) TACR1
SCHEMBL8520649 0.78 TACR1 (0.95) TACR1
SCHEMBL6924338 0.77 TACR1 (0.75) TACR1
SCHEMBL7797010 0.77 TACR1 (0.79) 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