SCHEMBL31663907

SCHEMBL31663907

COc1ncncc1-c1cccnc1Oc1ccc2c(c1)CCCC2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.39
CYP19A1 P11511 2/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
PDE10A Q9Y233 3/20 0.38
DRD2 P14416 3/20 0.37
DRD1 P21728 3/20 0.37
DRD4 P21917 3/20 0.37
DRD5 P21918 3/20 0.37
DRD3 P35462 3/20 0.37
HRH3 Q9Y5N1 2/20 0.36
NAAA Q02083 1/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SCN9A Q15858 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
SCHEMBL20394365 1.00 CYP17A1 (0.39) CYP17A1CYP19A1CYP11B1CYP11B2PDE10A
SCHEMBL20406546 0.98 CYP19A1 (0.41) CYP17A1CYP19A1CYP11B1CYP11B2PDE10A
SCHEMBL18661533 0.91 PDE10A (0.43) PDE10ADRD2DRD1DRD4DRD5
SCHEMBL20394220 0.88 NPC1 (0.44) CYP19A1CYP11B1CYP11B2PDE10ADRD2
SCHEMBL20394487 0.84 PDE10A (0.50) CYP19A1CYP11B1CYP11B2PDE10ADRD2
SCHEMBL20394354 0.82 PDE10A (0.50) CYP19A1CYP11B1CYP11B2PDE10AHRH3
SCHEMBL20394215 0.81 PDE10A (0.46) PDE10ADRD2DRD1DRD4DRD5
SCHEMBL20394219 0.81 DRD1 (0.40) PDE10ADRD2DRD1DRD4DRD5
SCHEMBL31663908 0.80 PDE10A (0.39) CYP19A1CYP11B1CYP11B2PDE10ASCN9A
SCHEMBL20394418 0.80 PDE10A (0.39) CYP19A1CYP11B1CYP11B2PDE10ASCN9A

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-3351533-B1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME KAKEN PHARMA CO LTD (JP) 2025-07-23 EP disclosed