SCHEMBL6854969

SCHEMBL6854969

CC(C)CN1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)O)CC1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 16/20 0.63
TACR3 P29371 18/20 0.61
OPRM1 P35372 8/20 0.58
KCNH2 Q12809 3/20 0.55
TRPV4 Q9HBA0 2/20 0.52

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
SCHEMBL6853990 0.89 TACR3 (0.61) TACR2TACR3OPRM1KCNH2
SCHEMBL6852963 0.89 TACR2 (0.61) TACR2TACR3OPRM1KCNH2TRPV4
SCHEMBL3962728 0.89 TACR2 (0.79) TACR2TACR3OPRM1KCNH2TRPV4
Hydrochloric Acid SCHEMBL5732533 0.88 TACR2 (0.77) TACR2TACR3OPRM1KCNH2TRPV4
SCHEMBL6848956 0.87 TACR2 (0.61) TACR2TACR3OPRM1KCNH2
SCHEMBL5428963 0.87 TACR2 (0.58) TACR2TACR3OPRM1KCNH2TRPV4
SCHEMBL5429393 0.87 TACR2 (0.58) TACR2TACR3OPRM1KCNH2TRPV4
SCHEMBL5427238 0.87 TACR2 (0.58) TACR2TACR3OPRM1KCNH2TRPV4
SCHEMBL6851678 0.87 TACR3 (0.69) TACR2TACR3OPRM1KCNH2TRPV4
SCHEMBL6853012 0.86 TACR3 (0.64) TACR2TACR3OPRM1KCNH2

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