SCHEMBL14499757

SCHEMBL14499757

CN(C)CCCOc1ccc(-c2csc(CSCCOc3ccccc3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.56
CXCR1 P25024 2/20 0.49
LTA4H P09960 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CACNA1B Q00975 2/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HRH3 Q9Y5N1 2/20 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
SCHEMBL5639173 0.81 LSS (0.52) LSSCXCR1LTA4HKDM4EALDH1A1
SCHEMBL5640125 0.81 LSS (0.54) LSSCXCR1LTA4HKDM4EALDH1A1
SCHEMBL5641512 0.78 LSS (0.56) LSSCXCR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL5639061 0.78 LSS (0.51) LSSCXCR1HRH3
Hydrochloric Acid SCHEMBL5638788 0.78 ATP4A (0.51) LSSCXCR1KDM4ESMN1; SMN2
SCHEMBL5638731 0.76 LSS (0.54) LSSCXCR1LTA4HKDM4EALDH1A1
SCHEMBL5640083 0.76 LSS (0.53) LSSCXCR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL5639209 0.75 LSS (0.52) LSSCXCR1LTA4HKDM4EALDH1A1
SCHEMBL5639033 0.75 LSS (0.52) LSSCXCR1LTA4HCACNA1BHRH3
SCHEMBL10679594 0.75 LSS (1.00) LSSCXCR1LTA4HKDM4EALDH1A1

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
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed