SCHEMBL9995183

SCHEMBL9995183

O=C(O)Nc1ccc2nc(C3CC(N4CCCCC4)C3)sc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HSD17B10 Q99714 2/20 0.52
MAPT P10636 3/20 0.47
NPC1 O15118 3/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
TSHR P16473 2/20 0.43
LDHA P00338 2/20 0.43
EPHX2 P34913 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.41
THRB P10828 1/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
Cyclohexane SCHEMBL9994983 1.00 RAB9A (0.52) RAB9ASMN1; SMN2HSD17B10MAPTNPC1
Cyclopentane SCHEMBL9994808 1.00 RAB9A (0.52) RAB9ASMN1; SMN2HSD17B10MAPTNPC1
Cyclopropane SCHEMBL9994801 1.00 RAB9A (0.52) RAB9ASMN1; SMN2HSD17B10MAPTNPC1
Cyclopentane SCHEMBL9994781 1.00 RAB9A (0.52) RAB9ASMN1; SMN2HSD17B10MAPTNPC1
SCHEMBL9994885 1.00 RAB9A (0.52) RAB9ASMN1; SMN2HSD17B10MAPTNPC1
SCHEMBL9994799 1.00 RAB9A (0.52) RAB9ASMN1; SMN2HSD17B10MAPTNPC1
Cyclopropane SCHEMBL9994713 1.00 RAB9A (0.52) RAB9ASMN1; SMN2HSD17B10MAPTNPC1
Cyclohexane SCHEMBL9995190 1.00 RAB9A (0.52) RAB9ASMN1; SMN2HSD17B10MAPTNPC1
SCHEMBL1744132 0.90 LDHA (0.53) RAB9ASMN1; SMN2HSD17B10MAPTNPC1
SCHEMBL1744133 0.90 LDHA (0.53) RAB9ASMN1; SMN2HSD17B10MAPTNPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2386556-B1 Benzothiazole cyclobutyl amine derivatives and their use as histamine-3 receptors ligands ABBVIE INC (US) 2013-10-23 EP claimed
EP-1926729-B1 BENZOTHIAZOLE CYCLOBUTYL AMINE DERIVATIVES AND THEIR USE AS HISTAMINE-3 RECEPTORS LIGANDS ABBOTT LAB (US) 2011-12-21 EP claimed