SCHEMBL6853853

SCHEMBL6853853

CN1CCN(C2CCN(Cc3c(-c4ccccc4)nc4ccccc4c3C(=O)O)CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 11/20 0.62
TACR3 P29371 10/20 0.62
TACR2 P21452 6/20 0.62
OPRM1 P35372 3/20 0.61
KCNH2 Q12809 4/20 0.56

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
SCHEMBL6853726 0.96 TACR3 (0.60) TRPV4TACR3TACR2OPRM1KCNH2
SCHEMBL2373330 0.90 TRPV4 (0.72) TRPV4TACR3TACR2OPRM1KCNH2
SCHEMBL5733751 0.89 TACR3 (0.62) TRPV4TACR3TACR2OPRM1KCNH2
Hydrochloric Acid SCHEMBL5733490 0.89 TRPV4 (0.71) TRPV4TACR3TACR2OPRM1KCNH2
SCHEMBL5945439 0.88 TRPV4 (0.60) TRPV4TACR3TACR2OPRM1KCNH2
SCHEMBL6848917 0.88 TACR3 (0.70) TRPV4TACR3TACR2OPRM1KCNH2
SCHEMBL6855974 0.88 TACR3 (0.70) TRPV4TACR3TACR2OPRM1KCNH2
SCHEMBL6853069 0.84 TRPV4 (0.66) TRPV4TACR3TACR2OPRM1KCNH2
SCHEMBL5443753 0.83 TRPV4 (0.64) TRPV4TACR3TACR2OPRM1KCNH2
SCHEMBL5945331 0.83 TACR2 (0.67) TRPV4TACR3TACR2OPRM1KCNH2

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 4 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
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