SCHEMBL9038875

SCHEMBL9038875

COc1ccccc1N1CCN(CCCCN2CCCc3sc(C)cc3C2=O)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 15/20 0.70
DRD2 P14416 14/20 0.70
DRD4 P21917 11/20 0.70
DRD1 P21728 3/20 0.70
HTR7 P34969 2/20 0.60
DRD5 P21918 1/20 0.60
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 1/20 0.57
CYP3A4 P08684 1/20 0.57
HTR1A P08908 1/20 0.57
CYP2D6 P10635 1/20 0.57
ALOX12 P18054 1/20 0.57
ADRA1D P25100 1/20 0.57
ADRA1A P35348 1/20 0.57
ADRA1B P35368 1/20 0.57
KMT2A Q03164 1/20 0.57
HIF1A Q16665 1/20 0.57
HSD17B10 Q99714 1/20 0.57
KDM4E B2RXH2 1/20 0.56
GLA P06280 1/20 0.56

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
Hydrochloric Acid SCHEMBL9041792 0.98 DRD3 (0.68) DRD3DRD2DRD4DRD1HTR7
SCHEMBL9040097 0.85 ADRA1B (0.53) DRD3DRD2DRD4DRD1ADRA1D
Hydrochloric Acid SCHEMBL9042274 0.84 ADRA1B (0.55) DRD3DRD2DRD4DRD1ADRA1D
SCHEMBL9037998 0.83 DRD3 (0.61) DRD3DRD2DRD4DRD1HTR7
SCHEMBL13448976 0.81 DRD3 (0.81) DRD3DRD2DRD4DRD1HTR7
SCHEMBL9038573 0.80 DRD3 (0.63) DRD3DRD2DRD4DRD1HTR7
SCHEMBL9039237 0.80 DRD3 (0.64) DRD3DRD2DRD4DRD1HTR7
Oxalic Acid SCHEMBL9042871 0.79 DRD3 (0.59) DRD3DRD2DRD4DRD1HTR7
Hydrochloric Acid SCHEMBL9732898 0.79 HTR2C (0.64) DRD3DRD2DRD4DRD1HTR7
SCHEMBL6775289 0.78 DRD3 (0.74) DRD3DRD2DRD4DRD1HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0465254-B1 Fused thiophene compounds and uses thereof YOSHITOMI PHARMACEUTICAL (JP) 1996-11-13 EP claimed
US-5141930-A Antianxietic drug, antipsychotics and cardiotonic agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-08-25 US claimed
EP-0465254-A1 Fused thiophene compounds and uses thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-01-08 EP claimed
EP-0465254-B1 Fused thiophene compounds and uses thereof YOSHITOMI PHARMACEUTICAL (JP) 1996-11-13 EP disclosed
EP-0465254-A1 Fused thiophene compounds and uses thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-01-08 EP disclosed