SCHEMBL8936931

SCHEMBL8936931

CC(c1ccccc1OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(C)CCc1nnn[nH]1

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.40

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
SCHEMBL8936863 0.91 TACR1 (0.45) TACR1
SCHEMBL8936912 0.80 TACR1 (0.43) TACR1
SCHEMBL8936871 0.76 TACR1 (0.45) TACR1
SCHEMBL8936826 0.75 TACR1 (0.61) TACR1
SCHEMBL8936832 0.75 TACR1 (0.61) TACR1
SCHEMBL8936909 0.73 TACR1 (0.38) TACR1
SCHEMBL8936906 0.71 TRPV6 (0.42) TACR1
SCHEMBL8936903 0.70 TACR1 (0.39) TACR1
SCHEMBL8936907 0.70 TACR1 (0.64) TACR1
SCHEMBL8936904 0.70 TACR1 (0.63) 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-5494926-A ANTIINFLAMMATORY AGENT, ANTIARTHRITIC AGENT; TREATING PAIN, HEADACHE MERCK SHARP & DOHME LTD. (GB) 1996-02-27 US claimed
WO-1993024465-A1 2/3-(HETEROCYCLIC ALKYL AMINO)-1-(SUBST.-PHENYL-METHOXY)-ETHANES/PROPANES AS TACHYKININ-RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1993-12-09 WO claimed