SCHEMBL6851699

SCHEMBL6851699

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

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 15/20 0.67
TACR2 P21452 10/20 0.59
OPRM1 P35372 5/20 0.54
KCNH2 Q12809 5/20 0.53
PDE10A Q9Y233 2/20 0.52
TSHR P16473 1/20 0.52
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
DHODH Q02127 2/20 0.50

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
SCHEMBL6848956 0.88 TACR2 (0.61) TACR3TACR2OPRM1KCNH2PDE10A
SCHEMBL6851678 0.88 TACR3 (0.69) TACR3TACR2OPRM1KCNH2
SCHEMBL6853618 0.87 TACR2 (0.55) TACR3TACR2OPRM1KCNH2PDE10A
SCHEMBL6853012 0.87 TACR3 (0.64) TACR3TACR2OPRM1KCNH2PDE10A
SCHEMBL5452655 0.86 TACR2 (0.54) TACR3TACR2OPRM1KCNH2PDE10A
SCHEMBL6855404 0.86 TACR2 (0.54) TACR3TACR2OPRM1KCNH2PDE10A
SCHEMBL6266946 0.86 TACR2 (0.59) TACR3TACR2OPRM1KCNH2PDE10A
SCHEMBL6853307 0.86 TACR3 (0.54) TACR3TACR2OPRM1KCNH2PDE10A
SCHEMBL5455845 0.86 TACR2 (0.56) TACR3TACR2OPRM1KCNH2
SCHEMBL6852983 0.86 TACR2 (0.56) 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 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