SCHEMBL6848917

SCHEMBL6848917

O=C(O)c1c(CN2CCC(N3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 10/20 0.70
TACR2 P21452 7/20 0.70
TRPV4 Q9HBA0 11/20 0.60
KCNH2 Q12809 3/20 0.59
OPRM1 P35372 3/20 0.59

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 0.90 TRPV4 (0.72) TACR3TACR2TRPV4KCNH2OPRM1
SCHEMBL4903021 0.89 TACR3 (0.63) TACR3TACR2KCNH2OPRM1
SCHEMBL5733751 0.89 TACR3 (0.62) TACR3TACR2TRPV4KCNH2OPRM1
Hydrochloric Acid SCHEMBL5733490 0.89 TRPV4 (0.71) TACR3TACR2TRPV4KCNH2OPRM1
SCHEMBL2373668 0.89 TRPV4 (0.77) TACR3TACR2TRPV4KCNH2
Hydrochloric Acid SCHEMBL7683491 0.88 TACR3 (0.62) TACR3TACR2KCNH2OPRM1
SCHEMBL5945439 0.88 TRPV4 (0.60) TACR3TACR2TRPV4KCNH2OPRM1
SCHEMBL6853853 0.88 TRPV4 (0.62) TACR3TACR2TRPV4KCNH2OPRM1
SCHEMBL6853726 0.86 TACR3 (0.60) TACR3TACR2TRPV4KCNH2OPRM1
SCHEMBL6855974 0.85 TACR3 (0.70) TACR3TACR2TRPV4KCNH2OPRM1

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