SCHEMBL9329082

SCHEMBL9329082

CNC(=S)[C@@]1(c2cccnc2)CCCC[C@H]1O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.43
ALDH1A1 P00352 4/20 0.38
SLC6A4 P31645 5/20 0.37
CYP11B2 P19099 1/20 0.36
P2RX7 Q99572 3/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
SLC6A2 P23975 1/20 0.35
CNR2 P34972 1/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL9329091 1.00 SLC6A3 (0.43) SLC6A3ALDH1A1SLC6A4CYP11B2P2RX7
SCHEMBL9330228 1.00 SLC6A3 (0.43) SLC6A3ALDH1A1SLC6A4CYP11B2P2RX7
SCHEMBL9329087 1.00 SLC6A3 (0.43) SLC6A3ALDH1A1SLC6A4CYP11B2P2RX7
SCHEMBL9330230 1.00 SLC6A3 (0.43) SLC6A3ALDH1A1SLC6A4CYP11B2P2RX7
SCHEMBL9370112 0.86 ALDH1A1 (0.37) SLC6A3ALDH1A1SLC6A4CYP11B2P2RX7
SCHEMBL9370119 0.86 ALDH1A1 (0.37) SLC6A3ALDH1A1SLC6A4CYP11B2P2RX7
SCHEMBL9370116 0.86 ALDH1A1 (0.37) SLC6A3ALDH1A1SLC6A4CYP11B2P2RX7
SCHEMBL9425045 0.85 ALDH1A1 (0.36) SLC6A3ALDH1A1SLC6A4CYP11B2P2RX7
SCHEMBL9517554 0.84 ALDH1A1 (0.36) SLC6A3ALDH1A1SLC6A4CYP11B2P2RX7
SCHEMBL9517542 0.84 ALDH1A1 (0.36) SLC6A3ALDH1A1SLC6A4CYP11B2P2RX7

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-0321274-B1 Derivatives of thioformamide MAY & BAKER LTD (GB) 1994-03-30 EP claimed
EP-0321274-B1 Derivatives of thioformamide MAY & BAKER LTD (GB) 1994-03-30 EP disclosed