SCHEMBL10078632

SCHEMBL10078632

COc1ccc2nccc(N3CC[C@@H]4CNC[C@@H]43)c2n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.45
HTR2A P28223 4/20 0.45
HTR2B P41595 4/20 0.45
MAP4K1 Q92918 1/20 0.40
DYRK1A Q13627 1/20 0.38
CHRNB2 P17787 3/20 0.37
CHRNB4 P30926 3/20 0.37
CHRNA3 P32297 3/20 0.37
CHRNA4 P43681 3/20 0.37
CYP8B1 Q9UNU6 1/20 0.37
KCNH2 Q12809 2/20 0.35
PTPN11 Q06124 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
SCHEMBL10078704 0.74 CYP8B1 (0.43) CYP8B1
SCHEMBL1222623 0.73 NCF1 (0.57) HTR2CHTR2ACHRNB2CHRNA4CYP8B1
SCHEMBL4068537 0.72 CYP8B1 (0.41) CYP8B1KCNH2
SCHEMBL1224945 0.72 CHRNB2 (0.56) MAP4K1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1222834 0.72 CYP2C19 (0.46) CYP8B1KCNH2
SCHEMBL16986059 0.71 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4CYP8B1
SCHEMBL4054846 0.70 KCNH2 (0.36) CYP8B1KCNH2
SCHEMBL3636416 0.70 CYP2C19 (0.54) CYP8B1KCNH2
SCHEMBL1223241 0.70 CHRNB2 (0.53) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL1222688 0.70 CYP2C19 (0.54) CYP8B1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2915813-A1 Oxazolidinone antibiotics Actelion Pharmaceuticals Ltd. (CH) 2015-09-09 EP disclosed
EP-2905283-A1 Oxazolidinone antibiotics Actelion Pharmaceuticals Ltd. (CH) 2015-08-12 EP disclosed
US-8217029-B2 Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2012-07-10 US disclosed