SCHEMBL4355491

SCHEMBL4355491

O=C(c1cc[c]nc1)N1CCN(CCO)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
POLB P06746 2/20 0.54
NAMPT P43490 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNH2 Q12809 1/20 0.43
HTT P42858 1/20 0.42
PARP1 P09874 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
PRKAA2 P54646 1/20 0.41
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL2347324 0.82 POLB (0.51) POLBMEN1KMT2AHRH3CYP2D6
SCHEMBL2156044 0.81 ALDH1A1 (0.61) ALDH1A1POLBNAMPTMEN1KMT2A
SCHEMBL23388092 0.81 HPGD (0.48) ALDH1A1POLBMEN1KMT2AHTT
SCHEMBL743014 0.81 HPGD (0.53) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL2536712 0.79 HPGD (0.56) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL15107941 0.78 ALDH1A1 (0.58) ALDH1A1POLBNAMPTHRH3KDM4E
SCHEMBL2342799 0.78 KMT2A (0.56) ALDH1A1POLBMEN1KMT2AHRH3
SCHEMBL743882 0.77 SMN1; SMN2 (0.57) ALDH1A1POLBKMT2AHTTKDM4E
SCHEMBL23387920 0.77 HPGD (0.51) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL23388061 0.75 GRM5 (0.47) NAMPTHTTPARP1

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-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed