SCHEMBL6853329

SCHEMBL6853329

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

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 9/20 0.57
TACR3 P29371 13/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HTT P42858 1/20 0.55
KCNH2 Q12809 4/20 0.54
LMNA P02545 3/20 0.53
OPRM1 P35372 5/20 0.52
PDE10A Q9Y233 2/20 0.51
DHODH Q02127 1/20 0.51
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL5420962 0.93 TACR2 (0.55) TACR2TACR3KDM4EALDH1A1HTT
SCHEMBL6266946 0.89 TACR2 (0.59) TACR2TACR3KCNH2LMNAOPRM1
SCHEMBL6851715 0.89 TACR2 (0.54) TACR2TACR3KCNH2LMNAOPRM1
SCHEMBL6857861 0.88 TACR2 (0.55) TACR2TACR3KCNH2LMNAOPRM1
SCHEMBL6853012 0.88 TACR3 (0.64) TACR2TACR3KCNH2LMNAOPRM1
SCHEMBL5418351 0.87 DHODH (0.60) KDM4EALDH1A1HTTPDE10ADHODH
SCHEMBL6848956 0.87 TACR2 (0.61) TACR2TACR3KCNH2LMNAOPRM1
SCHEMBL6848632 0.86 TACR2 (0.56) TACR2TACR3KCNH2LMNAOPRM1
SCHEMBL6851798 0.86 TACR2 (0.61) TACR2TACR3KCNH2OPRM1
SCHEMBL6852963 0.86 TACR2 (0.61) TACR2TACR3KCNH2OPRM1

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