SCHEMBL14934068

SCHEMBL14934068

COCC(C)N1CCn2nccc2C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ DRD3 P35462 4/20 0.33
▸ DRD4 P21917 3/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ OPRM1 P35372 1/20 0.31

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
SCHEMBL12826444 0.83 DRD2 (0.38) DRD2DRD3DRD4HRH3
SCHEMBL10360901 0.79 DRD2 (0.36) DRD2DRD3DRD4LMNAHRH3
SCHEMBL25633371 0.76 DRD2 (0.34) DRD2DRD3DRD4
SCHEMBL14912863 0.74 ADORA2A (0.33) DRD2HTR2AHRH1LMNAHRH3
SCHEMBL22867309 0.74 DRD2 (0.33) DRD2DRD3DRD4
SCHEMBL17147100 0.73 ACHE (0.35) DRD2DRD3DRD4KMT2ALMNA
SCHEMBL17656168 0.71 BTK (0.32) DRD2HTR2AHRH1LMNA
SCHEMBL20682229 0.71 KDM4E (0.33) DRD2DRD3DRD4LMNAHRH3
SCHEMBL25784871 0.70 DRD2 (0.34) DRD2DRD3DRD4
SCHEMBL14912660 0.70 ALDH1A1 (0.32) DRD2HTR2AHRH1KMT2ALMNA

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
WO-2013067274-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY GENENTECH, INC. (US) 2013-05-10 — — WO disclosed
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