SCHEMBL28825964

SCHEMBL28825964

COc1cc(CC(Cc2c[nH]nc2C2CC2)OC=O)cnc1Cl

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
PDE10A Q9Y233 1/20 0.31
PDE6D O43924 1/20 0.31
PDE5A O76074 1/20 0.31
PDE6A P16499 1/20 0.31
PDE6G P18545 1/20 0.31
PDE6B P35913 1/20 0.31
PDE6C P51160 1/20 0.31
PDE6H Q13956 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
SCHEMBL28052294 0.71 KLKB1 (0.40)
SCHEMBL26946141 0.64 GABRA1 (0.30)
SCHEMBL14242057 0.62 EPHX2 (0.32)
SCHEMBL22641245 0.60 PTGS2 (0.48) CHRNB2CHRNA4
SCHEMBL2746304 0.60 NPC1 (0.44) CHRNB2CHRNA4
SCHEMBL16246806 0.60 KLKB1 (0.44)
SCHEMBL20876534 0.60 NPC1 (0.37) CHRNB2CHRNA4
SCHEMBL25424005 0.60 HTR2C (0.34) PDE10A
SCHEMBL22322334 0.59 ALDH1A1 (0.50)
SCHEMBL16246672 0.59 NPC1 (0.40) CHRNB2CHRNA4

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
CN-105452240-A Heterocyclic derivates KALVISTA PHARMACEUTICALS LTD 2016-03-30 CN disclosed