SCHEMBL26465834

SCHEMBL26465834

O=C(CN1CC2CC(C1)N2CCC1CCOCC1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CNR2 P34972 4/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CACNA1H O95180 10/20 0.46
PSMB5 P28074 1/20 0.41
TSHR P16473 1/20 0.41
EPHX2 P34913 1/20 0.41
EPHX1 P07099 1/20 0.40
CNR1 P21554 1/20 0.40

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
SCHEMBL26466771 0.83 MEN1 (0.46) MEN1KMT2ACNR2KDM4EALDH1A1
SCHEMBL26465978 0.78 KDM4E (0.45) MEN1KMT2AKDM4EALDH1A1CACNA1H
SCHEMBL26465830 0.74 CACNA1H (0.73) KMT2AKDM4EALDH1A1CACNA1HPSMB5
SCHEMBL26465831 0.74 ALDH1A1 (0.50) KDM4EALDH1A1CACNA1HPSMB5
SCHEMBL26465836 0.73 CACNA1H (0.56) KDM4EALDH1A1CACNA1HPSMB5EPHX2
SCHEMBL26463801 0.71 CACNA1H (0.71) KMT2AKDM4EALDH1A1CACNA1H
SCHEMBL26465843 0.70 ALDH1A1 (0.49) MEN1KMT2AKDM4EALDH1A1CACNA1H
SCHEMBL26465828 0.70 ALDH1A1 (0.48) MEN1KMT2AKDM4EALDH1A1CACNA1H
SCHEMBL4217027 0.69 ALDH1A1 (0.60) MEN1KMT2AKDM4EALDH1A1CACNA1H
SCHEMBL26466782 0.69 KDM4E (0.42) KDM4EALDH1A1CACNA1HPSMB5EPHX1

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
WO-2023192669-A1 T-TYPE CALCIUM CHANNEL MODULATORS COMPRISING A PIPERAZINE OR 1,4-DIAZEPANE CORE AND METHODS OF USE THEREOF PRAXIS PRECISION MEDICINES, INC. (US) 2023-10-05 WO disclosed