SCHEMBL9092986

SCHEMBL9092986

COc1ccccc1CN[C@@H](CCN)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.64
ATM Q13315 2/20 0.64
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
TAAR1 Q96RJ0 1/20 0.49
CHRM2 P08172 3/20 0.48
BCHE P06276 3/20 0.46
TACR1 P25103 1/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.45
GRIN1 Q05586 3/20 0.43
GRIN2A Q12879 3/20 0.43
ACHE P22303 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
SCHEMBL8589936 0.81 ATM (0.58) L3MBTL1ATMMEN1KMT2AMAPT
SCHEMBL9541710 0.81 ATM (0.61) L3MBTL1ATMMEN1KMT2AALDH1A1
SCHEMBL6313952 0.78 L3MBTL1 (0.54) L3MBTL1ATMMEN1KMT2AALDH1A1
SCHEMBL9091970 0.78 L3MBTL1 (0.54) L3MBTL1ATMMEN1KMT2AALDH1A1
SCHEMBL8589748 0.77 L3MBTL1 (0.53) L3MBTL1ATMMEN1KMT2AALDH1A1
SCHEMBL3670113 0.77 ATM (0.73) L3MBTL1ATMMEN1KMT2AALDH1A1
SCHEMBL3670110 0.77 ATM (0.73) L3MBTL1ATMMEN1KMT2AALDH1A1
SCHEMBL8593543 0.77 ATM (0.59) L3MBTL1ATMMEN1KMT2AALDH1A1
SCHEMBL8592466 0.76 L3MBTL1 (0.52) L3MBTL1ATMMEN1KMT2AALDH1A1
SCHEMBL8593599 0.76 L3MBTL1 (0.52) L3MBTL1ATMMEN1KMT2AALDH1A1

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
US-5521220-A Acyclic ethylenediamine derivatives PFIZER INC. (US) 1996-05-28 US disclosed