SCHEMBL8012011

SCHEMBL8012011

Cc1cccc(C)c1NCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
TAAR1 Q96RJ0 2/20 0.52
ATM Q13315 1/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
P2RX7 Q99572 1/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
KDM1A O60341 1/20 0.47
HTR1A P08908 1/20 0.47

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
SCHEMBL10898341 0.83 TAAR1 (0.53) TAAR1MEN1KMT2AMAPK1ALDH1A1
SCHEMBL5840221 0.80 MAPT (0.54) L3MBTL1ATMMEN1KMT2AMAPK1
SCHEMBL6542650 0.80 MAPT (0.69) L3MBTL1TAAR1ATMMEN1KMT2A
SCHEMBL7263631 0.79 MEN1 (0.61) L3MBTL1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5608826 0.79 HTT (0.53) L3MBTL1MEN1KMT2AP2RX7MAPK1
SCHEMBL10668224 0.77 BCHE (0.60) MEN1KMT2A
SCHEMBL10669787 0.77 SCN8A (0.60) MEN1KMT2AMAOASIGMAR1GAA
SCHEMBL5840516 0.76 MAPT (0.44) L3MBTL1MEN1KMT2AMAPK1ALDH1A1
SCHEMBL5838710 0.76 MAPT (0.44) MEN1KMT2AMAPK1ALDH1A1LMNA
SCHEMBL22412597 0.76 P2RX7 (0.40) L3MBTL1P2RX7ALDH1A1SMN1; SMN2CYP1A2

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-6107521-A Process for the preparation of secondary amines CELGRO (US) 2000-08-22 US disclosed