SCHEMBL6853618

SCHEMBL6853618

O=C(O)c1c(CN2CCN(C(=O)c3ccccc3)CC2)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 9/20 0.55
TACR3 P29371 12/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
OPRM1 P35372 4/20 0.51
KCNH2 Q12809 3/20 0.50
KDM4E B2RXH2 1/20 0.50
SMO Q99835 1/20 0.50
DHODH Q02127 1/20 0.49
PDE10A Q9Y233 1/20 0.49
HIF1A Q16665 1/20 0.48

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 0.87 TACR3 (0.67) TACR2TACR3LMNATSHROPRM1
SCHEMBL6853012 0.86 TACR3 (0.64) TACR2TACR3LMNATSHROPRM1
SCHEMBL5452655 0.85 TACR2 (0.54) TACR2TACR3LMNATSHROPRM1
SCHEMBL6855404 0.85 TACR2 (0.54) TACR2TACR3LMNAOPRM1KCNH2
SCHEMBL6848956 0.85 TACR2 (0.61) TACR2TACR3LMNATSHROPRM1
SCHEMBL27583479 0.84 TACR2 (0.53) TACR2TACR3LMNATSHROPRM1
SCHEMBL6851678 0.84 TACR3 (0.69) TACR2TACR3OPRM1KCNH2
SCHEMBL5461424 0.84 TACR2 (0.53) TACR2TACR3ALDH1A1LMNAHSD17B10
SCHEMBL6853329 0.84 TACR2 (0.57) TACR2TACR3ALDH1A1LMNATSHR
SCHEMBL5466472 0.84 TACR2 (0.57) TACR2TACR3LMNATSHROPRM1

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 2 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