SCHEMBL10700207

SCHEMBL10700207

CN1CCc2cc(O)c([S+]([O-])c3ccccc3)cc2CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 12/20 0.51
▸ DRD2 P14416 10/20 0.51
▸ DRD5 P21918 9/20 0.51
▸ DRD4 P21917 4/20 0.51
▸ DRD3 P35462 7/20 0.47
▸ MAPK1 P28482 1/20 0.45
▸ THPO P40225 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MTOR P42345 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ SMN1; SMN2 Q16637 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
SCHEMBL10709628 0.81 DRD1 (0.54) DRD1DRD2DRD5DRD4DRD3
SCHEMBL10701215 0.68 DRD1 (0.53) DRD1DRD2DRD5DRD4DRD3
SCHEMBL9563677 0.67 ALDH1A1 (0.39) THPOHIF1AHSD17B10MTORKDM4E
SCHEMBL11765918 0.66 ALOX5 (0.45) MAPK1HSD17B10KDM4EMAPTSMN1; SMN2
SCHEMBL5944480 0.66 DRD1 (0.50) DRD1DRD2DRD5DRD4DRD3
SCHEMBL5988956 0.66 TRPA1 (0.47) MAPK1HSD17B10KDM4EMAPTSMN1; SMN2
SCHEMBL5988961 0.66 TRPA1 (0.47) MAPK1HSD17B10KDM4EMAPTSMN1; SMN2
SCHEMBL5988966 0.66 TRPA1 (0.47) MAPK1HSD17B10KDM4EMAPTSMN1; SMN2
SCHEMBL19236385 0.65 DRD1 (0.53) DRD1DRD2DRD5DRD4DRD3
SCHEMBL6247473 0.65 DRD2 (0.62) DRD1DRD2DRD5DRD4DRD3

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-0285287-A2 3-Benzazepine compounds for use in treating gastrointestinal motility disorders SMITHKLINE BEECHAM CORPORATION (US) 1988-10-05 — — EP disclosed
Send feedback