SCHEMBL6853012

SCHEMBL6853012

O=C(O)c1c(CN2CCN(Cc3ccccc3)CC2)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 13/20 0.64
KCNH2 Q12809 4/20 0.64
TACR2 P21452 9/20 0.59
OPRM1 P35372 5/20 0.54
LMNA P02545 3/20 0.53
PDE10A Q9Y233 2/20 0.53
DHODH Q02127 2/20 0.53
TSHR P16473 1/20 0.52
ACHE P22303 1/20 0.51
POLB P06746 1/20 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
SCHEMBL6857861 0.91 TACR2 (0.55) TACR3KCNH2TACR2OPRM1LMNA
SCHEMBL6848956 0.89 TACR2 (0.61) TACR3KCNH2TACR2OPRM1LMNA
SCHEMBL5466472 0.88 TACR2 (0.57) TACR3KCNH2TACR2OPRM1LMNA
SCHEMBL6853329 0.88 TACR2 (0.57) TACR3KCNH2TACR2OPRM1LMNA
SCHEMBL6266946 0.87 TACR2 (0.59) TACR3KCNH2TACR2OPRM1LMNA
SCHEMBL6851699 0.87 TACR3 (0.67) TACR3KCNH2TACR2OPRM1LMNA
SCHEMBL5908826 0.87 TACR2 (0.56) TACR3KCNH2TACR2OPRM1LMNA
SCHEMBL5424841 0.87 TACR3 (0.52) TACR3KCNH2TACR2OPRM1LMNA
SCHEMBL4903021 0.86 TACR3 (0.63) TACR3KCNH2TACR2OPRM1LMNA
SCHEMBL6222134 0.86 TACR2 (0.55) TACR3KCNH2TACR2OPRM1LMNA

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