SCHEMBL1729622

SCHEMBL1729622

O=C(O)NCCC1CCN(c2nc3ccccc3s2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.57
NPC1 O15118 8/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
SMN1; SMN2 Q16637 5/20 0.55
MAPT P10636 4/20 0.55
TP53 P04637 1/20 0.55
LMNA P02545 4/20 0.53
ALDH1A1 P00352 2/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
CASP1 P29466 1/20 0.53
HTT P42858 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPK1 P28482 1/20 0.53
CHRM4 P08173 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
STAT3 P40763 1/20 0.49
DPP4 P27487 1/20 0.48
CYP1A2 P05177 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
SCHEMBL1729140 0.85 PPARG (0.60) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL3270585 0.84 NPC1 (0.50) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL27276171 0.81 NPC1 (0.58) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL15941379 0.80 PDE10A (0.54) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4703345 0.79 RAB9A (0.56) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4849763 0.79 RAB9A (0.56) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL13181131 0.79 RAB9A (0.63) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL9582197 0.79 PDE10A (0.68) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL992629 0.79 SCD (0.57)
SCHEMBL4703342 0.79 RAB9A (0.59) RAB9ANPC1MEN1KMT2ASMN1; SMN2

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
EP-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP claimed