SCHEMBL9646137

SCHEMBL9646137

O=c1oc2cccnc2n1CCN1CCN(c2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.60
HTR7 P34969 5/20 0.59
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL9646894 0.93 HTR1A (0.70) HTR1AHTR7
SCHEMBL9645787 0.90 HTR1A (0.50) HTR1AHTR7KDM4EALDH1A1
SCHEMBL9644779 0.90 HTR1A (0.48) HTR1AHTR7KDM4EALDH1A1
SCHEMBL9646338 0.90 DRD2 (0.52) HTR1AHTR7
SCHEMBL9647583 0.90 KDM4E (0.58) HTR1AHTR7KDM4E
SCHEMBL9645860 0.89 HTR1A (0.55) HTR1AHTR7KDM4EALDH1A1
SCHEMBL9644860 0.88 KDM4E (0.49) HTR1AHTR7KDM4EALDH1A1
SCHEMBL9645757 0.87 NPC1 (0.53) HTR1AKDM4EALDH1A1
SCHEMBL9645728 0.87 ALDH1A1 (0.52) HTR1AHTR7KDM4EALDH1A1
SCHEMBL9589251 0.86 KDM4E (0.52) KDM4EALDH1A1

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