SCHEMBL7678768

SCHEMBL7678768

O=C(OCC(Cl)(Cl)Cl)N1CCC(Sc2ccc(CN3CCCCC3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.41
HRH3 Q9Y5N1 10/20 0.39
MBTD1 Q05BQ5 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADRB2 P07550 1/20 0.39
TNF P01375 1/20 0.39
PTGIR P43119 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 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) CHRM4KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7038329 0.83 SMN1; SMN2 (0.53) CHRM4HRH3KDM4EALDH1A1
SCHEMBL7036716 0.83 SMN1; SMN2 (0.44) CHRM4L3MBTL1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7040117 0.80 CYP3A4 (0.53) HRH3ALDH1A1
Hydrochloric Acid SCHEMBL7040587 0.79 LSS (0.52) HRH3ADRB2PTGIRKDM4EALDH1A1
SCHEMBL587589 0.72 ALDH1A1 (0.62) CHRM4L3MBTL1KDM4EALDH1A1
SCHEMBL7042155 0.71 CXCR4 (0.54) HRH3PTGIRKDM4EALDH1A1
SCHEMBL29524977 0.71 ALDH1A1 (0.41) L3MBTL1ALDH1A1
SCHEMBL11239164 0.67 SMN1; SMN2 (0.39) CHRM4L3MBTL1KDM4EALDH1A1
SCHEMBL11239169 0.67 SMN1; SMN2 (0.39) CHRM4L3MBTL1KDM4EALDH1A1

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

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