SCHEMBL9350304

SCHEMBL9350304

COc1ccccc1CNC(CNC1CC2CCC1C2)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TACR1 P25103 12/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM1A O60341 2/20 0.45
MAOA P21397 2/20 0.45
MAOB P27338 1/20 0.45
CACNA1F O60840 1/20 0.44
CHRM5 P08912 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNA1S Q13698 1/20 0.44
CACNA1C Q13936 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
GPR65 Q8IYL9 1/20 0.44
RAB9A P51151 1/20 0.43

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
SCHEMBL9350303 0.83 MEN1 (0.54) ATML3MBTL1TACR1MEN1KMT2A
Hydrochloric Acid SCHEMBL9350290 0.81 L3MBTL1 (0.57) ATML3MBTL1TACR1MEN1KMT2A
SCHEMBL9350886 0.79 ATM (0.54) ATML3MBTL1TACR1MEN1KMT2A
SCHEMBL8589748 0.71 L3MBTL1 (0.53) ATML3MBTL1TACR1MEN1KMT2A
SCHEMBL8593599 0.70 L3MBTL1 (0.52) ATML3MBTL1TACR1MEN1KMT2A
SCHEMBL8592466 0.70 L3MBTL1 (0.52) ATML3MBTL1TACR1MEN1KMT2A
SCHEMBL6555199 0.70 MEN1 (0.57) ATML3MBTL1TACR1MEN1KMT2A
Hydrochloric Acid SCHEMBL8931153 0.70 MEN1 (0.56) ATML3MBTL1TACR1MEN1KMT2A
SCHEMBL6555362 0.69 MEN1 (0.68) ATML3MBTL1MEN1KMT2A
SCHEMBL9092986 0.69 L3MBTL1 (0.64) ATML3MBTL1TACR1MEN1KMT2A

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