SCHEMBL6853585

SCHEMBL6853585

CN1CCC(N(C)Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PDE10A Q9Y233 2/20 0.48
LMNA P02545 2/20 0.47
TACR3 P29371 6/20 0.47
TACR2 P21452 3/20 0.47
DHODH Q02127 3/20 0.46
KCNH2 Q12809 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP3A4 P08684 1/20 0.46
OPRM1 P35372 1/20 0.45
KDM4E B2RXH2 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
SCHEMBL4906728 0.88 PDE10A (0.51) POLBTSHRSMN1; SMN2PDE10ALMNA
SCHEMBL6853322 0.88 TACR3 (0.51) POLBTSHRPDE10ALMNATACR3
SCHEMBL4241779 0.83 TACR3 (0.72) TACR3KCNH2CYP3A4
SCHEMBL6200397 0.81 PDE10A (0.48) POLBTSHRPDE10ALMNATACR3
SCHEMBL4665929 0.79 TACR3 (0.64) POLBTSHRPDE10ALMNATACR3
SCHEMBL6853726 0.77 TACR3 (0.60) TACR3TACR2KCNH2OPRM1
SCHEMBL7691041 0.77 PDE10A (0.57) POLBTSHRPDE10ALMNATACR3
SCHEMBL8267077 0.77 PDE10A (0.59) POLBTSHRPDE10ALMNATACR3
SCHEMBL6853853 0.75 TRPV4 (0.62) TACR3TACR2KCNH2OPRM1
SCHEMBL8268023 0.74 PDE10A (0.56) POLBTSHRPDE10ALMNATACR3

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