SCHEMBL13745556

SCHEMBL13745556

CC(CNC(=O)C1CCN(C)CC1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
TAAR1 Q96RJ0 1/20 0.59
POLB P06746 1/20 0.58
TP53 P04637 4/20 0.57
LMNA P02545 2/20 0.57
ATM Q13315 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.48

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
SCHEMBL13745505 0.79 RECQL (0.73) SMN1; SMN2POLBTP53KMT2AMAPT
SCHEMBL21213779 0.78 EPHX2 (0.49) SMN1; SMN2LMNAKMT2ARAB9A
SCHEMBL20116677 0.77 TAAR1 (0.54) SMN1; SMN2TAAR1POLBTP53LMNA
SCHEMBL13746186 0.77 NPSR1 (0.72) POLBMAPT
SCHEMBL29541740 0.75 TAAR1 (0.58) SMN1; SMN2TAAR1POLBTP53LMNA
SCHEMBL13621122 0.75 CYP2C19 (0.72) POLBLMNAKMT2AMAPTNPC1
SCHEMBL21611301 0.74 ALDH1A1 (0.60) SMN1; SMN2TAAR1POLBTP53MAPT
SCHEMBL28313672 0.74 CHRM4 (0.54) SMN1; SMN2LMNAKMT2ARAB9A
SCHEMBL1880625 0.74 TACR1 (0.47) SMN1; SMN2KMT2AMEN1
SCHEMBL13746185 0.73 CYP2C19 (0.62) POLBTP53LMNAKMT2AMAPT

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
WO-2009098282-A1 LOW MOLECULAR WEIGHT 2,5-DISUBSTITUTED THIOPHENE DERIVATIVES AND USE THEREOF IN THERAPY NOVASAID AB (SE) 2009-08-13 WO disclosed