SCHEMBL6851786

SCHEMBL6851786

CN/C(=N\C#N)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 19/20 0.52
TACR2 P21452 14/20 0.52
OPRM1 P35372 8/20 0.48
KCNH2 Q12809 5/20 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
SCHEMBL6851791 1.00 TACR3 (0.52) TACR3TACR2OPRM1KCNH2
SCHEMBL6857817 0.85 TACR3 (0.50) TACR3TACR2OPRM1KCNH2
SCHEMBL6857894 0.85 TACR2 (0.51) TACR3TACR2OPRM1KCNH2
SCHEMBL6857895 0.85 TACR2 (0.51) TACR3TACR2OPRM1KCNH2
SCHEMBL6853285 0.84 TACR2 (0.74) TACR3TACR2OPRM1
SCHEMBL6852983 0.82 TACR2 (0.56) TACR3TACR2OPRM1KCNH2
SCHEMBL6851699 0.81 TACR3 (0.67) TACR3TACR2OPRM1KCNH2
SCHEMBL5909007 0.80 TACR2 (0.55) TACR3TACR2OPRM1KCNH2
SCHEMBL6853618 0.80 TACR2 (0.55) TACR3TACR2OPRM1KCNH2
SCHEMBL7238544 0.79 TACR3 (0.51) TACR3TACR2OPRM1KCNH2

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