SCHEMBL4019288

SCHEMBL4019288

Cc1ccc2c(N3CCC(NC(=O)OC(C)(C)C)CC3)nc(Cl)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
OGFRL1 Q5TC84 1/20 0.45
SUV39H2 Q9H5I1 10/20 0.43
USP14 P54578 1/20 0.42
PDE10A Q9Y233 1/20 0.41
DRD2 P14416 2/20 0.40
EPHX2 P34913 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL183991 0.94 PDE10A (0.47) CKS1BSKP1SKP2SUV39H2PDE10A
SCHEMBL183992 0.94 PDE10A (0.47) CKS1BSKP1SKP2SUV39H2PDE10A
SCHEMBL4016152 0.87 HRH4 (0.44) OPRK1
SCHEMBL1622192 0.83 CNR1 (0.46) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL2603709 0.82 PRKDC (0.42) CNR2OPRK1SUV39H2PDE10A
SCHEMBL4013403 0.81 GBA1 (0.51) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL30377235 0.81 PDE10A (0.56) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL17628044 0.81 PDE10A (0.56) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL17628041 0.81 PDE10A (0.56) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL29648048 0.81 PDE10A (0.44) SUV39H2PDE10ADRD2

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-1784393-B1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2009-07-01 EP disclosed
EP-1784393-B1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2009-07-01 EP disclosed