SCHEMBL9202136

SCHEMBL9202136

O=C(N[C@H]1CC[C@@H](CCN2CC=C(c3ccccc3)CC2)CC1)c1cccs1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.67
DRD3 P35462 14/20 0.67
HTR1A P08908 1/20 0.56
HTR2A P28223 1/20 0.56
HTR7 P34969 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL9202130 1.00 DRD2 (0.67) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL9205095 1.00 DRD2 (0.67) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL9199501 0.86 DRD2 (0.67) DRD2DRD3HTR1AHTR2AKDM4E
SCHEMBL9203036 0.86 DRD2 (0.67) DRD2DRD3HTR1AHTR2AKDM4E
SCHEMBL9206102 0.86 DRD2 (0.67) DRD2DRD3HTR1AHTR2AKDM4E
SCHEMBL13630405 0.82 DRD2 (0.57) DRD2DRD3HTR1AKDM4EALDH1A1
SCHEMBL9199454 0.81 L3MBTL1 (0.54) DRD2DRD3HTR7L3MBTL1KDM4E
SCHEMBL13629988 0.78 DRD2 (0.58) DRD2DRD3HTR2AKDM4EALDH1A1
SCHEMBL4482699 0.78 DRD2 (0.58) DRD2DRD3HTR2AKDM4EALDH1A1
SCHEMBL9196981 0.76 DRD2 (0.53) DRD2DRD3HTR1AL3MBTL1

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-0431580-B1 Substituted cyclohexanols as central nervous system agents WARNER LAMBERT CO (US) 1995-03-08 EP claimed