SCHEMBL6855974

SCHEMBL6855974

O=C(O)c1c(CN2CCN(C3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 15/20 0.70
TACR2 P21452 13/20 0.70
OPRM1 P35372 7/20 0.70
KCNH2 Q12809 3/20 0.68
TRPV4 Q9HBA0 5/20 0.61

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
SCHEMBL2373330 0.92 TRPV4 (0.72) TACR3TACR2OPRM1KCNH2TRPV4
Hydrochloric Acid SCHEMBL5733490 0.91 TRPV4 (0.71) TACR3TACR2OPRM1KCNH2TRPV4
SCHEMBL6848843 0.90 TACR3 (0.58) TACR3TACR2OPRM1KCNH2TRPV4
SCHEMBL6853726 0.90 TACR3 (0.60) TACR3TACR2OPRM1KCNH2TRPV4
SCHEMBL6853853 0.88 TRPV4 (0.62) TACR3TACR2OPRM1KCNH2TRPV4
SCHEMBL6851725 0.87 TACR3 (0.59) TACR3TACR2OPRM1KCNH2TRPV4
SCHEMBL5733751 0.86 TACR3 (0.62) TACR3TACR2OPRM1KCNH2TRPV4
SCHEMBL5945439 0.85 TRPV4 (0.60) TACR3TACR2OPRM1KCNH2TRPV4
SCHEMBL6848917 0.85 TACR3 (0.70) TACR3TACR2OPRM1KCNH2TRPV4
SCHEMBL5443753 0.85 TRPV4 (0.64) TACR3TACR2OPRM1KCNH2TRPV4

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 3 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
CN-1407850-A Process for converting storage reserves of dicot seeds into compositions comprising one or more gene products UNICROP LTD (FI) 2003-04-02 CN disclosed
CN-1406225-A Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists GLAXO SMITHKLINE S P A (IT) 2003-03-26 CN disclosed