SCHEMBL8626711

SCHEMBL8626711

CNC(CNCc1cc(C(C)(C)C)ccc1OC)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TACR1 P25103 1/20 0.44
LMNA P02545 1/20 0.42
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SGPL1 O95470 6/20 0.40
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BCHE P06276 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BACE1 P56817 1/20 0.38
CCR3 P51677 1/20 0.38
CASR P41180 1/20 0.38

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
SCHEMBL8621981 0.84 TACR1 (0.48) MEN1KMT2ATACR1LMNAKDM4E
SCHEMBL8621274 0.83 MEN1 (0.52) MEN1KMT2ATACR1LMNAKDM4E
SCHEMBL7713389 0.83 TACR1 (0.48) MEN1KMT2ATACR1LMNAKDM4E
SCHEMBL6557014 0.82 MEN1 (0.73) MEN1KMT2ATACR1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL8620824 0.81 MEN1 (0.71) MEN1KMT2ATACR1ALDH1A1ATM
SCHEMBL8621287 0.80 SGPL1 (0.52) MEN1KMT2AKDM4EALDH1A1SGPL1
SCHEMBL15829272 0.74 SLC6A4 (0.48) MEN1KMT2ATACR1
SCHEMBL6555107 0.74 MEN1 (0.68) MEN1KMT2AKDM4EALDH1A1ATM
Hydrochloric Acid SCHEMBL8615245 0.73 MEN1 (0.66) MEN1KMT2AKDM4EALDH1A1ATM
SCHEMBL11169196 0.72 TACR1 (0.46) TACR1

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-0613458-B1 ACYCLIC ETHYLENEDIAMINE DERIVATIVES AS SUBSTANCE P RECEPTOR ANTAGONISTS PFIZER (US) 1998-01-07 EP disclosed