SCHEMBL6851678

SCHEMBL6851678

CC(C)C(=O)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)O)CC1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 18/20 0.69
TACR2 P21452 15/20 0.69
OPRM1 P35372 7/20 0.56
KCNH2 Q12809 3/20 0.53
TRPV4 Q9HBA0 2/20 0.51

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
SCHEMBL6851699 0.88 TACR3 (0.67) TACR3TACR2OPRM1KCNH2
SCHEMBL6854969 0.87 TACR2 (0.63) TACR3TACR2OPRM1KCNH2TRPV4
SCHEMBL3962728 0.87 TACR2 (0.79) TACR3TACR2OPRM1KCNH2TRPV4
SCHEMBL5454531 0.86 TACR2 (0.69) TACR3TACR2OPRM1KCNH2TRPV4
Hydrochloric Acid SCHEMBL5732533 0.86 TACR2 (0.77) TACR3TACR2OPRM1KCNH2TRPV4
SCHEMBL6848956 0.85 TACR2 (0.61) TACR3TACR2OPRM1KCNH2
SCHEMBL6852963 0.85 TACR2 (0.61) TACR3TACR2OPRM1KCNH2TRPV4
SCHEMBL6853618 0.84 TACR2 (0.55) TACR3TACR2OPRM1KCNH2
SCHEMBL5429087 0.84 TACR2 (0.56) TACR3TACR2OPRM1KCNH2
SCHEMBL6853012 0.84 TACR3 (0.64) TACR3TACR2OPRM1KCNH2

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