SCHEMBL9350303

SCHEMBL9350303

COc1ccccc1CNCC(NC1CC2CCC1C2)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TACR1 P25103 11/20 0.46
KDM1A O60341 2/20 0.45
MAOA P21397 2/20 0.45
MAOB P27338 1/20 0.45
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 1/20 0.43
CACNA1F O60840 1/20 0.42
CHRM5 P08912 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
GPR65 Q8IYL9 1/20 0.42
BCHE P06276 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
SCHEMBL6555199 0.84 MEN1 (0.57) MEN1KMT2ATACR1KDM1AMAOA
SCHEMBL9350304 0.83 ATM (0.49) MEN1KMT2ATACR1KDM1AMAOA
Hydrochloric Acid SCHEMBL8931153 0.83 MEN1 (0.56) MEN1KMT2ATACR1KDM1AMAOA
SCHEMBL6556892 0.82 MEN1 (0.64) MEN1KMT2ATACR1KDM1AMAOA
Hydrochloric Acid SCHEMBL8621173 0.81 MEN1 (0.63) MEN1KMT2ATACR1KDM1AMAOA
SCHEMBL6555294 0.80 MEN1 (0.61) MEN1KMT2ATACR1KDM1AMAOA
SCHEMBL6555248 0.80 MEN1 (0.61) MEN1KMT2ATACR1KDM1AMAOA
SCHEMBL6556931 0.79 MEN1 (0.60) MEN1KMT2ATACR1KDM1AMAOA
SCHEMBL6556099 0.79 MEN1 (0.60) MEN1KMT2ATACR1KDM1AMAOA
Hydrochloric Acid SCHEMBL8620287 0.78 MEN1 (0.59) MEN1KMT2ATACR1ATML3MBTL1

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-A1 ACYCLIC ETHYLENEDIAMINE DERIVATIVES AS SUBSTANCE P RECEPTOR ANTAGONISTS PFIZER INC. (US) 1994-09-07 EP disclosed