SCHEMBL6853216

SCHEMBL6853216

O=C(O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2c(Cl)c(O)ccc12

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 15/20 0.53
TACR2 P21452 6/20 0.53
TACR3 P29371 6/20 0.53
OPRM1 P35372 2/20 0.53
KCNH2 Q12809 1/20 0.45
CACNA1C Q13936 1/20 0.45
SCN5A Q14524 1/20 0.45

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
Bromide SCHEMBL6848750 0.99 TRPV4 (0.53) TRPV4TACR2TACR3OPRM1KCNH2
SCHEMBL6349526 0.91 TRPV4 (0.53) TRPV4TACR2TACR3OPRM1
Hydrochloric Acid SCHEMBL5945393 0.90 TRPV4 (0.53) TRPV4TACR2TACR3OPRM1KCNH2
Bromide SCHEMBL5945395 0.90 TRPV4 (0.53) TRPV4TACR2TACR3OPRM1
SCHEMBL5945427 0.84 TRPV4 (0.56) TRPV4TACR2TACR3OPRM1KCNH2
SCHEMBL2373330 0.83 TRPV4 (0.72) TRPV4TACR2TACR3OPRM1KCNH2
SCHEMBL5945416 0.83 TRPV4 (0.62) TRPV4TACR2TACR3OPRM1KCNH2
SCHEMBL6851721 0.83 TRPV4 (0.53) TRPV4TACR2TACR3OPRM1KCNH2
SCHEMBL6853291 0.83 TRPV4 (0.55) TRPV4TACR2TACR3OPRM1KCNH2
Hydrochloric Acid SCHEMBL5733490 0.82 TRPV4 (0.71) TRPV4TACR2TACR3OPRM1KCNH2

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-6780875-B2 RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM S.P.A. (IT) 2004-08-24 US claimed