SCHEMBL10345625

SCHEMBL10345625

CC(=O)N1CCc2cc(Sc3ccccc3)c(O)cc2C(c2cccc(S(C)(=O)=O)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 13/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ THPO P40225 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ DRD2 P14416 5/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ DRD5 P21918 5/20 0.39
▸ CYP1A2 P05177 3/20 0.39
▸ CYP2D6 P10635 3/20 0.39
▸ TSHR P16473 3/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ADCY2 Q08462 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
SCHEMBL10345626 0.85 HSP90AA1 (0.38) DRD1HSD17B10THPOMAPK1HIF1A
SCHEMBL10345766 0.80 DRD1 (0.50) DRD1DRD2HTR2A
Hydrochloric Acid SCHEMBL10345623 0.79 DRD1 (0.54) DRD1HSD17B10THPOMAPK1HIF1A
Hydrochloric Acid SCHEMBL10345710 0.78 DRD1 (0.62) DRD1HSD17B10THPOMAPK1HIF1A
SCHEMBL10345415 0.76 MTNR1B (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL10345943 0.75 DRD1 (0.73) DRD1HSD17B10THPOMAPK1HIF1A
Hydrochloric Acid SCHEMBL10345672 0.74 DRD1 (0.74) DRD1HSD17B10THPOMAPK1HIF1A
SCHEMBL10746813 0.70 CYP3A4 (0.54) DRD1HSD17B10THPOMAPK1HIF1A
SCHEMBL10345859 0.67 CYP2D6 (0.53) DRD1HSD17B10THPOMAPK1HIF1A
SCHEMBL10749624 0.66 CYP3A4 (0.38) DRD1SMN1; SMN2DRD5CYP2D6CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0230755-B1 1-PHENYL-3-BENZAZEPINES SMITHKLINE BEECHAM CORPORATION (US) 1990-05-16 — — EP disclosed
US-4707483-A 1-phenyl-3-benzazepines and their use for treating gastrointestinal motility disorders SMITHKLINE BECKMAN CORPORATION (US) 1987-11-17 — — US disclosed
EP-0230755-A1 1-Phenyl-3-benzazepines SMITHKLINE BEECHAM CORPORATION (US) 1987-08-05 — — EP disclosed
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