SCHEMBL6853322

SCHEMBL6853322

CN(Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)O)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 7/20 0.51
KCNH2 Q12809 1/20 0.51
AKT1 P31749 1/20 0.48
TRPV4 Q9HBA0 3/20 0.46
TACR2 P21452 7/20 0.46
OPRM1 P35372 5/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
CHRM4 P08173 1/20 0.45
DRD2 P14416 1/20 0.45
TSHR P16473 1/20 0.45
PDE10A Q9Y233 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM3 P20309 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL6853585 0.88 POLB (0.48) TACR3KCNH2TACR2OPRM1TSHR
SCHEMBL4906728 0.84 PDE10A (0.51) TACR3KCNH2TACR2OPRM1TSHR
SCHEMBL6853012 0.82 TACR3 (0.64) TACR3KCNH2TACR2OPRM1TSHR
SCHEMBL6203237 0.80 ACHE (0.53) TACR3KCNH2TACR2OPRM1SIGMAR1
SCHEMBL27563378 0.79 CXCR4 (0.56) TACR3KCNH2TRPV4TACR2OPRM1
SCHEMBL6200397 0.78 PDE10A (0.48) TACR3KCNH2TACR2OPRM1TSHR
SCHEMBL5945331 0.77 TACR2 (0.67) TACR3KCNH2TRPV4TACR2OPRM1
SCHEMBL6848956 0.77 TACR2 (0.61) TACR3KCNH2TACR2OPRM1TSHR
SCHEMBL7691041 0.76 PDE10A (0.57) TACR3TACR2OPRM1TSHRPDE10A
SCHEMBL6852921 0.76 TACR2 (0.53) TACR3KCNH2TRPV4TACR2OPRM1

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