SCHEMBL6848960

SCHEMBL6848960

C[C@H](NC(=O)c1c(CN2CCN(C(=O)CCC(=O)O)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 18/20 0.81
TACR3 P29371 17/20 0.81
OPRM1 P35372 9/20 0.78
TRPV4 Q9HBA0 3/20 0.58

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
SCHEMBL5460168 0.96 TACR2 (0.79) TACR2TACR3OPRM1TRPV4
SCHEMBL5461434 0.94 TACR2 (0.83) TACR2TACR3OPRM1TRPV4
SCHEMBL5908966 0.91 TACR2 (0.81) TACR2TACR3OPRM1TRPV4
SCHEMBL5437389 0.89 TACR2 (0.84) TACR2TACR3OPRM1TRPV4
SCHEMBL5467567 0.89 TACR2 (0.84) TACR2TACR3OPRM1TRPV4
SCHEMBL6851688 0.89 TACR2 (0.84) TACR2TACR3OPRM1TRPV4
SCHEMBL28773316 0.88 TACR2 (0.85) TACR2TACR3OPRM1TRPV4
SCHEMBL5445710 0.87 TACR2 (0.81) TACR2TACR3OPRM1TRPV4
SCHEMBL5467406 0.87 TACR2 (0.81) TACR2TACR3OPRM1TRPV4
SCHEMBL5453510 0.86 TACR2 (0.79) TACR2TACR3OPRM1TRPV4

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