SCHEMBL9552133

SCHEMBL9552133

CCC(C)c1nc(Cc2ccc(-c3ccccc3)c(-c3nnn[nH]3)c2)n(C(C)(C)C)n1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL9723509 0.90 AGTR1 (0.35)
SCHEMBL9739932 0.87 CNR2 (0.33) CNR2
SCHEMBL9552061 0.83 AGTR1 (0.41)
SCHEMBL9553009 0.81 AGTR1 (0.34) CNR2
SCHEMBL6859784 0.81 CNR2 (0.32) CNR2
SCHEMBL9552291 0.77 AGTR1 (0.39) CNR2
SCHEMBL9553306 0.76 AGTR1 (0.36) CNR2
SCHEMBL9552534 0.76 AGTR1 (0.38) CNR2
SCHEMBL9552815 0.75 AGTR1 (0.44)
SCHEMBL9552554 0.75 CNR2 (0.42) CNR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5229406-A Treatment of glaucoma G. D. SEARLE & CO. (US) 1993-07-20 US disclosed