SCHEMBL9203036

SCHEMBL9203036

O=C(N[C@H]1CC[C@@H](CCN2CC=C(c3ccccc3)CC2)CC1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.67
DRD3 P35462 11/20 0.62
SIGMAR1 Q99720 1/20 0.56
HTR2A P28223 9/20 0.53
HTR1A P08908 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
CARM1 Q86X55 1/20 0.49
PRMT6 Q96LA8 1/20 0.49

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
SCHEMBL9206102 1.00 DRD2 (0.67) DRD2DRD3SIGMAR1HTR2AHTR1A
SCHEMBL9199501 1.00 DRD2 (0.67) DRD2DRD3SIGMAR1HTR2AHTR1A
SCHEMBL13630405 0.87 DRD2 (0.57) DRD2DRD3SIGMAR1HTR1AKDM4E
SCHEMBL9202136 0.86 DRD2 (0.67) DRD2DRD3HTR2AHTR1AKDM4E
SCHEMBL9202130 0.86 DRD2 (0.67) DRD2DRD3HTR2AHTR1AKDM4E
SCHEMBL9205095 0.86 DRD2 (0.67) DRD2DRD3HTR2AHTR1AKDM4E
SCHEMBL13629988 0.83 DRD2 (0.58) DRD2DRD3SIGMAR1HTR2AKDM4E
SCHEMBL4482699 0.83 DRD2 (0.58) DRD2DRD3SIGMAR1HTR2AKDM4E
SCHEMBL13630282 0.80 DRD2 (0.55) DRD2DRD3SIGMAR1HTR2AKDM4E
SCHEMBL4489217 0.80 DRD2 (0.55) DRD2DRD3SIGMAR1HTR2AKDM4E

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