SCHEMBL31570751

SCHEMBL31570751

Cc1ccc(C(Cc2cccnc2)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.54
SLC6A4 P31645 3/20 0.54
SLC6A3 Q01959 3/20 0.54
PDE4A P27815 1/20 0.52
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CHRM1 P11229 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KCNH2 Q12809 2/20 0.46
EPHX2 P34913 1/20 0.45
CFTR P13569 1/20 0.44
GOPC Q9HD26 1/20 0.44
CYP19A1 P11511 1/20 0.44

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
SCHEMBL31570747 0.90 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3PDE4ACYP3A4
SCHEMBL2053141 0.82 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3PDE4ACYP2C19
SCHEMBL31570740 0.81 GAA (0.55) SLC6A2SLC6A4SLC6A3PDE4AALDH1A1
SCHEMBL29938176 0.80 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19
SCHEMBL4973916 0.79 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3LMNASMN1; SMN2
SCHEMBL10662943 0.78 L3MBTL1 (0.57) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL19069229 0.77 KIF20A (0.51) SLC6A2SLC6A4SLC6A3ALDH1A1CYP3A4
SCHEMBL10489055 0.77 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3LMNASMN1; SMN2
SCHEMBL11798962 0.76 SMN1; SMN2 (0.56) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
Ammonia Solution, Strong SCHEMBL6000373 0.75 CFTR (0.46) SLC6A2SLC6A4SLC6A3ALDH1A1LMNA

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-119874468-A Novel method for introducing alkyl on nitrogen-containing heterocyclic molecule by photocatalytic C-Cl bond activation 扬州大学 2025-04-25 CN disclosed