SCHEMBL7036644

SCHEMBL7036644

CN(C)Cc1ccc(SC2CCN(C(=O)Oc3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.45
GPR119 Q8TDV5 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HSD11B1 P28845 1/20 0.40
MAPK1 P28482 1/20 0.39
STAT3 P40763 1/20 0.39
TRPA1 O75762 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 1/20 0.39
FAAH O00519 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
Hydrochloric Acid SCHEMBL7036137 0.99 LSS (0.44) LSSGPR119GAASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL7040589 0.88 GAA (0.53) GPR119GAAALDH1A1MAPK1NPC1
SCHEMBL7039131 0.83 LSS (0.47) LSSGAAFAAH
Hydrochloric Acid SCHEMBL7040587 0.83 LSS (0.52) LSSALDH1A1MAPK1
Hydrochloric Acid SCHEMBL7042095 0.82 LSS (0.46) LSSGAAFAAH
SCHEMBL7036643 0.81 RAB9A (0.46) GAASMN1; SMN2ALDH1A1MAPTTRPA1
Hydrochloric Acid SCHEMBL7040296 0.78 LSS (0.41) LSSSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL7037887 0.77 SMN1; SMN2 (0.56) GPR119SMN1; SMN2NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL7040948 0.76 SMN1; SMN2 (0.55) GPR119SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL2797073 0.75 STS (0.57) GPR119ALDH1A1LMNAMAPTHPGD

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