SCHEMBL9239226

SCHEMBL9239226

COc1ccc(C2CC3CCC2N3)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CA2 P00918 1/20 0.41

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
Ammonia Solution, Strong SCHEMBL266622 0.77 MEN1 (0.50) MEN1KMT2AKDM4EALDH1A1CA2
SCHEMBL23268490 0.73 MEN1 (0.50) MEN1KMT2AKDM4EALDH1A1CA2
SCHEMBL6359533 0.72 CHRNB4 (0.47) CHRNB4CHRNA3
SCHEMBL25703969 0.72 MEN1 (0.49) MEN1KMT2ACHRNB2CHRNA4CHRNB4
SCHEMBL25706673 0.72 MEN1 (0.49) MEN1KMT2ACHRNB2CHRNA4CHRNB4
SCHEMBL23268480 0.72 MEN1 (0.55) MEN1KMT2ACHRNB2CHRNA4CHRNB4
SCHEMBL23268487 0.71 MEN1 (0.58) MEN1KMT2AKDM4EALDH1A1CA2
SCHEMBL23268494 0.71 MEN1 (0.54) MEN1KMT2ACHRNB2CHRNA4CHRNB4
SCHEMBL31172738 0.71 MEN1 (0.58) MEN1KMT2AKDM4EALDH1A1CA2
SCHEMBL25705273 0.71 MEN1 (0.54) MEN1KMT2ACHRNB2CHRNA4CHRNB4

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-0657455-A1 Epi-epibatidine derivatives, a process and intermediates for preparing them and epi-epibatidine and medicaments containing the epi-epibatidine derivatives and/or epi-epibatidine and the use of them EGIS GYOGYSZERGYAR (HU) 1995-06-14 EP disclosed