SCHEMBL1729322

SCHEMBL1729322

O=C(O)NCCC1CCN(c2ccc(-c3ccccc3)nn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.49
ACHE P22303 2/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
BCHE P06276 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SCD O00767 3/20 0.46
HSP90AA1 P07900 1/20 0.46
PAX8 Q06710 1/20 0.46
CHRM4 P08173 3/20 0.45

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
SCHEMBL2331013 0.90 NPC1 (0.49) NPC1RAB9AMEN1KMT2ASCD
SCHEMBL1729060 0.88 CKS1B (0.51) CHRNA7ACHENPC1RAB9AMEN1
SCHEMBL3268959 0.85 SCD (0.42) CHRNA7ACHENPC1RAB9ABCHE
SCHEMBL1728820 0.84 SCD (0.49) SCDCHRM4
SCHEMBL1728924 0.84 CNR1 (0.47) ACHECHRM4
SCHEMBL1728747 0.82 SCD (0.45) SCDCHRM4
SCHEMBL1729606 0.78 CHRM4 (0.57) CHRM4
SCHEMBL1727741 0.78 CHRM4 (0.56) CHRM4
SCHEMBL1727542 0.78 HRH3 (0.52)
SCHEMBL1727652 0.76 SCD (0.42) CHRNA7NPC1RAB9AMEN1KMT2A

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