SCHEMBL1727832

SCHEMBL1727832

CNC(CN1CCCN(c2nc(-c3ccccc3)ns2)CC1)CN(CC=O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
FAAH O00519 15/20 0.44
GALR3 O60755 1/20 0.44
NR2F2 P24468 1/20 0.44
CNR2 P34972 1/20 0.43

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
SCHEMBL1727891 0.78 ALDH1A1 (0.43) MAPT
SCHEMBL1727831 0.75 FAAH (0.47) RAB9ANPC1POLBMAPTMAPK1
SCHEMBL1727884 0.74 HTR1A (0.44) MAPTMAPK1
SCHEMBL1729007 0.74 PKM (0.47)
SCHEMBL1729369 0.72 MAPT (0.46) POLBMAPTMAPK1
SCHEMBL1727873 0.70 FAAH (0.53) RAB9ANPC1POLBMAPTMAPK1
SCHEMBL1729364 0.69 KMT2A (0.50) RAB9ANPC1POLBMAPTCNR2
SCHEMBL2757296 0.67 RAB9A (0.45) RAB9ANPC1POLBMAPTMAPK1
SCHEMBL3763277 0.66 FAAH (0.73) RAB9ANPC1FAAH
SCHEMBL3004397 0.65 FAAH (0.91) POLBMAPTMAPK1FAAH

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