SCHEMBL6848632

SCHEMBL6848632

CC(C)(C)CCN1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)O)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 12/20 0.56
TACR3 P29371 17/20 0.54
KCNH2 Q12809 5/20 0.53
OPRM1 P35372 6/20 0.52
TSHR P16473 1/20 0.49
PDE10A Q9Y233 1/20 0.49
LMNA P02545 1/20 0.48
POLB P06746 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
SCHEMBL6266946 0.88 TACR2 (0.59) TACR2TACR3KCNH2OPRM1TSHR
SCHEMBL6853329 0.86 TACR2 (0.57) TACR2TACR3KCNH2OPRM1TSHR
SCHEMBL6848956 0.85 TACR2 (0.61) TACR2TACR3KCNH2OPRM1TSHR
SCHEMBL6851798 0.85 TACR2 (0.61) TACR2TACR3KCNH2OPRM1
SCHEMBL6852963 0.85 TACR2 (0.61) TACR2TACR3KCNH2OPRM1
SCHEMBL5420962 0.84 TACR2 (0.55) TACR2TACR3KCNH2OPRM1TSHR
SCHEMBL6857861 0.84 TACR2 (0.55) TACR2TACR3KCNH2OPRM1TSHR
SCHEMBL6853012 0.84 TACR3 (0.64) TACR2TACR3KCNH2OPRM1TSHR
SCHEMBL5908692 0.84 TACR2 (0.55) TACR2TACR3KCNH2OPRM1TSHR
SCHEMBL6851699 0.83 TACR3 (0.67) TACR2TACR3KCNH2OPRM1TSHR

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