SCHEMBL9994638

SCHEMBL9994638

O=C(Nc1ccc2nc([C@H]3C[C@@H](N4CCCCC4)C3)sc2c1)ON1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ SMN1; SMN2 Q16637 6/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ LMNA P02545 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ TP53 P04637 5/20 0.40
▸ THRB P10828 2/20 0.39
▸ HTT P42858 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL9994957 1.00 MAPT (0.44) MAPTRAB9ANPC1CASP3SENP8
SCHEMBL1745263 0.86 SMN1; SMN2 (0.56) MAPTRAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL1745541 0.86 SMN1; SMN2 (0.56) MAPTRAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL1745260 0.86 SMN1; SMN2 (0.56) MAPTRAB9ANPC1SMN1; SMN2HSD17B10
Cyclopentane SCHEMBL9994808 0.82 RAB9A (0.52) MAPTRAB9ANPC1CASP3SENP8
SCHEMBL9995183 0.82 RAB9A (0.52) MAPTRAB9ANPC1CASP3SENP8
Cyclohexane SCHEMBL9994983 0.82 RAB9A (0.52) MAPTRAB9ANPC1CASP3SENP8
SCHEMBL9994885 0.82 RAB9A (0.52) MAPTRAB9ANPC1CASP3SENP8
Cyclopropane SCHEMBL9994713 0.82 RAB9A (0.52) MAPTRAB9ANPC1CASP3SENP8
SCHEMBL9994799 0.82 RAB9A (0.52) MAPTRAB9ANPC1CASP3SENP8

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
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