SCHEMBL1729140

SCHEMBL1729140

O=C(O)NCCC1CCN(c2nc3ccc(Cl)cc3s2)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.60
PPARD Q03181 6/20 0.60
PPARA Q07869 5/20 0.60
NPC1 O15118 9/20 0.55
RAB9A P51151 7/20 0.55
SMN1; SMN2 Q16637 5/20 0.54
MAPT P10636 1/20 0.53
CNR2 P34972 1/20 0.50
TP53 P04637 2/20 0.49
MITF O75030 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49

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
SCHEMBL3268946 0.85 PPARG (0.53) PPARGPPARDPPARANPC1RAB9A
SCHEMBL1729622 0.85 RAB9A (0.57) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL334455 0.83 NPC1 (0.62) PPARGPPARDPPARANPC1RAB9A
SCHEMBL335645 0.82 NPC1 (0.64) PPARGPPARDPPARANPC1RAB9A
SCHEMBL335795 0.81 PPARD (0.72) PPARGPPARDPPARANPC1SMN1; SMN2
SCHEMBL10219837 0.81 NPC1 (0.65) PPARGPPARDPPARANPC1RAB9A
SCHEMBL10220809 0.81 PPARD (0.71) PPARGPPARDPPARANPC1MAPT
SCHEMBL10219814 0.80 NPC1 (0.67) PPARGPPARDPPARANPC1RAB9A
SCHEMBL333932 0.79 NPC1 (0.61) PPARGPPARDPPARANPC1RAB9A
SCHEMBL346050 0.79 HRH3 (0.56)

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