SCHEMBL31663802

SCHEMBL31663802

O=C[C@H]1CN(Cc2ccccc2)CCO1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 15/20 0.57
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
DRD2 P14416 2/20 0.50
DRD3 P35462 2/20 0.50
CNR2 P34972 3/20 0.48
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL1947037 1.00 DRD4 (0.57) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2933580 0.85 DRD4 (0.57) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5437188 0.84 DRD4 (0.56) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8719927 0.81 DRD4 (0.53) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21902079 0.80 GRIN2B (0.64) DRD4CNR2
SCHEMBL13038818 0.80 MPO (0.51) DRD4DRD2DRD3
SCHEMBL5666784 0.79 DRD4 (0.66) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21941810 0.79 GRIN2B (0.49) DRD4CNR2SIGMAR1
SCHEMBL31328464 0.78 DRD4 (0.63) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13895166 0.77 DRD4 (0.71) DRD4CYP1A2CYP3A4CYP2D6CYP2C9

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
EP-4419207-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LTD (GB) 2025-07-23 EP disclosed