SCHEMBL16151744

SCHEMBL16151744

CSc1ccc(-c2cn(C)c3c(N4CCC(c5nc(C(C)C)no5)CC4)ncnc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 17/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ CNR2 P34972 1/20 0.42
▸ SCN9A Q15858 1/20 0.38
▸ EPHX2 P34913 1/20 0.35

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
SCHEMBL12506125 0.86 GPR119 (0.71) GPR119CYP3A4CYP2C19
SCHEMBL14160288 0.74 GPR119 (0.62) GPR119CYP3A4CYP2C19CNR2SCN9A
SCHEMBL12506069 0.72 GPR119 (0.79) GPR119CYP3A4CYP2C19CNR2SCN9A
SCHEMBL390081 0.72 GPR119 (0.60) GPR119CYP3A4CYP2C19CNR2SCN9A
SCHEMBL15315317 0.70 GPR119 (0.75) GPR119CYP3A4CYP2C19CNR2
SCHEMBL15312685 0.69 GPR119 (0.77) GPR119CYP3A4CYP2C19CNR2SCN9A
SCHEMBL12506097 0.69 GPR119 (1.00) GPR119CYP3A4CYP2C19
SCHEMBL12068300 0.69 GPR119 (0.52) GPR119CYP3A4CYP2C19CNR2SCN9A
SCHEMBL12506049 0.69 GPR119 (0.86) GPR119CYP3A4CYP2C19CNR2
SCHEMBL12506086 0.69 GPR119 (0.78) GPR119CYP3A4CYP2C19CNR2

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-8853213-B2 Bicyclic compound for modulating G protein-coupled receptors HANMI PHARM. CO., LTD (KR) 2014-10-07 — — US disclosed
US-8853213-B2 Bicyclic compound for modulating G protein-coupled receptors HANMI PHARM. CO., LTD (KR) 2014-10-07 — — US disclosed
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