SCHEMBL7036643

SCHEMBL7036643

CC(C)(N)c1ccc(SC2CCN(C(=O)Oc3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LIPE Q05469 3/20 0.42
NPY2R P49146 3/20 0.42
GAA P10253 1/20 0.41
TRPA1 O75762 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
STS P08842 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL7036644 0.81 LSS (0.45) RAB9ANPC1MAPTSMN1; SMN2GAA
SCHEMBL2797073 0.81 STS (0.57) RAB9ANPC1MAPTHTTSTS
Hydrochloric Acid SCHEMBL7036137 0.81 LSS (0.44) RAB9ANPC1MAPTSMN1; SMN2GAA
Hydrochloric Acid SCHEMBL7040587 0.78 LSS (0.52) ALDH1A1POLB
SCHEMBL7037885 0.76 SMN1; SMN2 (0.55) RAB9ANPC1HTTSMN1; SMN2
SCHEMBL4773741 0.74 MAPT (0.54) MAPTSTS
SCHEMBL10458902 0.74 GAA (0.72) RAB9ANPC1SMN1; SMN2LIPEGAA
SCHEMBL7010527 0.74 STS (0.49) RAB9ANPC1MAPTHTTSMN1; SMN2
SCHEMBL4768561 0.73 GPR119 (0.54) RAB9ANPC1MAPTHTTSMN1; SMN2
SCHEMBL22324946 0.72 ALDH1A1 (0.64) MAPTHTTSTSALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1060162-B1 URETHANES DERIVED FROM AZACYCLOALKANES, THIO AND DITHIO ANALOGUES, PRODUCTION AND USE THEREOF AS 2,3 EPOXYSQUALENE LANESTEROL CYCLASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2003-03-19 EP claimed
US-6339096-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERLIPIDAEMIAS, HYPERCHOLESTEROLAEMIAS AND ATHEROSCLEROSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-01-15 US claimed
US-6339096-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERLIPIDAEMIAS, HYPERCHOLESTEROLAEMIAS AND ATHEROSCLEROSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-01-15 US disclosed