SCHEMBL13636839

SCHEMBL13636839

C=C(NC1(C(=O)Nc2ccccn2)CC1)c1cc(C(C)(C)C)nc(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.46
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
KMT2A Q03164 3/20 0.40
MAPT P10636 1/20 0.40
FLT3 P36888 1/20 0.39
NPC1 O15118 7/20 0.39
RAB9A P51151 7/20 0.39
PKM P14618 3/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 1/20 0.38
MME P08473 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL7848737 0.90 FPR2 (0.47) FPR2ALDH1A1HTTMAPK13MAPK12
SCHEMBL4396673 0.76 FPR2 (0.46) FPR2ALDH1A1HTTKMT2AMAPT
SCHEMBL7857567 0.72 POLB (0.47) ALDH1A1HTTKMT2ANPC1RAB9A
SCHEMBL13636880 0.70 EPHX2 (0.43) FPR2ALDH1A1KMT2AMAPTNPC1
SCHEMBL22601533 0.69 LMNA (0.71) ALDH1A1HTTKMT2AFLT3NPC1
SCHEMBL13636843 0.65 CTDSP1 (0.45) ALDH1A1KMT2ANPC1RAB9AMEN1
SCHEMBL7858819 0.64 LMNA (0.37) HTTKMT2ANPC1RAB9AMEN1
SCHEMBL23771955 0.64 NPC1 (0.53) ALDH1A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL11972371 0.63 ALDH1A1 (0.61) FPR2ALDH1A1HTTKMT2AMAPT
SCHEMBL12042421 0.63 NPC1 (0.78) ALDH1A1KMT2AMAPTFLT3NPC1

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-2009132453-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-11-05 WO disclosed