SCHEMBL6853049

SCHEMBL6853049

CN1CCN(CC(=O)N2CCN(Cc3c(-c4ccccc4)nc4ccccc4c3C(=O)O)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 15/20 0.58
KCNH2 Q12809 5/20 0.58
PTGS2 P35354 1/20 0.53
TACR2 P21452 10/20 0.53
OPRM1 P35372 5/20 0.49
TSHR P16473 2/20 0.46
PDE10A Q9Y233 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46

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 0.85 TACR3 (0.67) TACR3KCNH2TACR2OPRM1TSHR
SCHEMBL6853307 0.84 TACR3 (0.54) TACR3KCNH2TACR2OPRM1TSHR
SCHEMBL5461424 0.84 TACR2 (0.53) TACR3KCNH2TACR2OPRM1PDE10A
SCHEMBL5459898 0.84 TACR2 (0.53) TACR3KCNH2TACR2OPRM1
SCHEMBL5462467 0.83 TACR3 (0.55) TACR3KCNH2TACR2OPRM1
SCHEMBL5908826 0.83 TACR2 (0.56) TACR3KCNH2TACR2OPRM1TSHR
SCHEMBL6266946 0.83 TACR2 (0.59) TACR3KCNH2TACR2OPRM1TSHR
SCHEMBL6848956 0.82 TACR2 (0.61) TACR3KCNH2TACR2OPRM1TSHR
SCHEMBL6851678 0.82 TACR3 (0.69) TACR3KCNH2TACR2OPRM1
SCHEMBL6853618 0.82 TACR2 (0.55) TACR3KCNH2TACR2OPRM1TSHR

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