SCHEMBL7036716

SCHEMBL7036716

O=C(OCC(Cl)(Cl)Cl)N1CCC(Sc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 4/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
MAPT P10636 2/20 0.41
CHRM4 P08173 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
BRD4 O60885 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 2/20 0.38

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
SCHEMBL7042097 0.86 FAAH (0.36) SMN1; SMN2NPC1RAB9AALDH1A1CYP2C19
SCHEMBL7678768 0.83 CHRM4 (0.41) ALDH1A1CHRM4KDM4EL3MBTL1
SCHEMBL11239164 0.82 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL11239169 0.82 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL7875061 0.81 CHRM4 (0.51) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL7335086 0.80 OPRM1 (0.44) ALDH1A1CHRM4MEN1KMT2AKDM4E
SCHEMBL3128872 0.79 GPR119 (0.61) SMN1; SMN2MEN1KMT2AKDM4EGPR119
SCHEMBL11239659 0.78 ALDH1A1 (0.36) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL11239656 0.78 ALDH1A1 (0.36) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL3125608 0.76 CARM1 (0.49) SMN1; SMN2NPC1RAB9AALDH1A1CARM1

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-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 disclosed
US-6339096-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERLIPIDAEMIAS, HYPERCHOLESTEROLAEMIAS AND ATHEROSCLEROSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-01-15 US disclosed