SCHEMBL6929137

SCHEMBL6929137

Cn1c(-c2ccc(Cl)cc2)c(CCC(S)N2CCN(Cc3ccccc3)CC2)c2cc(Cl)ccc21

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.66

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
SCHEMBL6922756 0.79 TACR1 (1.00) TACR1
SCHEMBL6929136 0.79 TACR1 (0.80) TACR1
Hydrochloric Acid SCHEMBL7790312 0.70 TACR1 (0.72) TACR1
SCHEMBL6922765 0.69 TACR1 (1.00) TACR1
SCHEMBL6926561 0.68 TACR1 (0.65) TACR1
SCHEMBL10600744 0.68 SIGMAR1 (0.53)
SCHEMBL8231829 0.68 TACR1 (0.74) TACR1
SCHEMBL6925910 0.68 TACR1 (0.74) TACR1
SCHEMBL7796759 0.67 TACR1 (0.81) TACR1
SCHEMBL7573137 0.67 TACR1 (1.00) 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 1 patent. 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