SCHEMBL9645860

SCHEMBL9645860

O=c1oc2cccnc2n1CN1CCN(c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.55
HTR7 P34969 4/20 0.54
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL9646799 0.90 KDM4E (0.54) HTR1AHTR7KDM4EALDH1A1LMNA
SCHEMBL9646137 0.89 HTR1A (0.60) HTR1AHTR7KDM4EALDH1A1
SCHEMBL9646321 0.88 KDM4E (0.50) HTR1AKDM4EALDH1A1
SCHEMBL9646894 0.87 HTR1A (0.70) HTR1AHTR7
SCHEMBL9646680 0.87 NPC1 (0.52) HTR1AKDM4EALDH1A1MAPT
SCHEMBL9647522 0.85 TSHR (0.49) HTR1AHTR7KDM4EALDH1A1
SCHEMBL9590519 0.85 KDM4E (0.52) KDM4EALDH1A1
SCHEMBL9589114 0.84 KDM4E (0.54) KDM4EALDH1A1
SCHEMBL9646450 0.84 KDM4E (0.49) HTR1AHTR7KDM4EMAPT
SCHEMBL9647603 0.84 ALDH1A1 (0.50) HTR1AHTR7KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5084456-A Analgesics SCIENCE ET ORGANISATION (FR) 1992-01-28 US claimed
JP-3077867-A None JP disclosed
US-5084456-A Analgesics SCIENCE ET ORGANISATION (FR) 1992-01-28 US disclosed
JP-H0377867-A NEW OXAZOLOPYRIDINE DERIVATIVE SCIENCE & ORGANISATION 1991-04-03 JP disclosed