SCHEMBL9645728

SCHEMBL9645728

COc1ccc(N2CCN(CCn3c(=O)oc4cccnc43)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
HTR1A P08908 4/20 0.51
HTR7 P34969 1/20 0.51
DRD2 P14416 4/20 0.49
HTR2A P28223 1/20 0.49
OPRK1 P41145 1/20 0.49
DRD3 P35462 2/20 0.48
DRD4 P21917 1/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
ADORA2A P29274 1/20 0.48
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL9645787 0.89 HTR1A (0.50) ALDH1A1HTR1AHTR7ADORA2AKDM4E
SCHEMBL9646137 0.87 HTR1A (0.60) ALDH1A1HTR1AHTR7KDM4E
SCHEMBL9646338 0.86 DRD2 (0.52) HTR1AHTR7DRD2OPRK1DRD3
SCHEMBL9647583 0.86 KDM4E (0.58) HTR1AHTR7HTR2AMAPTKMT2A
SCHEMBL9644779 0.86 HTR1A (0.48) ALDH1A1HTR1AHTR7KMT2AKDM4E
SCHEMBL9647687 0.82 HTR1A (0.65) HTR1AHTR7DRD2HTR2ADRD3
SCHEMBL9644860 0.82 KDM4E (0.49) ALDH1A1HTR1AHTR7DRD4KDM4E
SCHEMBL9592125 0.82 KDM4E (0.54) ALDH1A1DRD2DRD4KDM4E
SCHEMBL9589251 0.81 KDM4E (0.52) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL9646894 0.81 HTR1A (0.70) HTR1AHTR7

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
US-5084456-A Analgesics SCIENCE ET ORGANISATION (FR) 1992-01-28 US disclosed