SCHEMBL31707341

SCHEMBL31707341

c1ccc(C(c2ccccc2)c2cnc3ccccc3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 3/20 0.48
SLC6A3 Q01959 3/20 0.48
HTT P42858 4/20 0.47
HPGD P15428 3/20 0.47
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDE10A Q9Y233 1/20 0.44
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 1/20 0.41
GPR3 P46089 1/20 0.41
CFTR P13569 1/20 0.39
GOPC Q9HD26 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL7453306 0.75 PDE10A (0.47) HTTHPGDALDH1A1ALOX15HSD17B10
SCHEMBL1102411 0.75 PDE10A (0.47) HTTHPGDALDH1A1ALOX15HSD17B10
SCHEMBL18635679 0.75 PDE10A (0.47) HTTHPGDALDH1A1ALOX15HSD17B10
SCHEMBL31300307 0.75 PDE10A (0.47) HTTHPGDALDH1A1ALOX15HSD17B10
SCHEMBL8443010 0.75 HTT (0.50) HTTHPGDALDH1A1ALOX15HSD17B10
SCHEMBL11870668 0.75 PDE10A (0.47) HTTHPGDALDH1A1ALOX15HSD17B10
SCHEMBL3501664 0.75 PDE10A (0.52) HTTHPGDALDH1A1ALOX15HSD17B10
SCHEMBL7453224 0.74 ALDH1A1 (0.52) HTTHPGDALDH1A1ALOX15HSD17B10
SCHEMBL12915380 0.73 S1PR3 (0.49) SLC6A2SLC6A4SLC6A3HPGDALDH1A1
SCHEMBL27739726 0.73 ALDH1A1 (0.39) HTTHPGDALDH1A1ALOX15HSD17B10

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-120817905-A Benzhydryl quinoxaline Process for preparing ketone derivatives 东莞市东部中心医院(暨南大学附属第六医院) 2025-10-21 CN disclosed