SCHEMBL5133424

SCHEMBL5133424

COC1(c2ccccc2)CCc2ccn3c(C)c(C)nc3c2O1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 3/20 0.37
ATP4B P51164 3/20 0.37
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL5039695 0.77 AKT1 (0.35)
SCHEMBL2959502 0.67 SIGMAR1 (0.41) CYP1A2CYP2D6CYP2C9
SCHEMBL11708552 0.65 PTGS1 (0.49) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9386634 0.65 HSD11B1 (0.34) CYP1A2CYP2D6CYP2C9
SCHEMBL4963101 0.60 DHODH (0.34)
SCHEMBL8611285 0.59 OPRM1 (0.40)
SCHEMBL5032825 0.57 CYP19A1 (0.50) ATP4AATP4B
SCHEMBL4591277 0.57 ATP4A (0.36) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL4985180 0.57 ATP4A (0.36) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL5989299 0.57 ATP4A (0.36) ATP4AATP4BCYP1A2CYP3A4CYP2D6

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
EP-0984969-B1 FUSED DIHYDROPYRANS NYCOMED GMBH (DE) 2008-07-09 EP disclosed
US-6160119-A Fused dihydropyrans BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-12-12 US disclosed