SCHEMBL6928698

SCHEMBL6928698

O=C(CCc1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12)N1CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.57
ALOX5 P09917 1/20 0.47

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
SCHEMBL6925532 0.82 TACR1 (0.65) TACR1
SCHEMBL6926532 0.79 TACR1 (0.66) TACR1
SCHEMBL6926023 0.78 TACR1 (0.69) TACR1
SCHEMBL6928666 0.77 TACR1 (0.69) TACR1
SCHEMBL6923703 0.77 TACR1 (0.64) TACR1
SCHEMBL7242930 0.75 PPARG (0.50) TACR1
SCHEMBL7801183 0.74 TACR1 (0.66) TACR1
SCHEMBL6922478 0.73 TACR1 (1.00) TACR1
SCHEMBL7233182 0.72 TACR1 (0.50) TACR1
SCHEMBL7233540 0.72 TSPO (0.47) 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