SCHEMBL4460

SCHEMBL4460

Cc1ccsc1C(O)CCN(C)C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.42
ALOX5 P09917 2/20 0.41
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
GSK3B P49841 1/20 0.35
ADRA1D P25100 2/20 0.33
POLB P06746 1/20 0.33
RIPK1 Q13546 1/20 0.31

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
SCHEMBL27610043 0.80 ALOX5 (0.40) ALOX5GSK3BADRA1D
SCHEMBL19277643 0.73 ALOX5 (0.44) ALOX5GSK3BADRA1D
SCHEMBL19043458 0.71 ALDH1A1 (0.40)
SCHEMBL1200623 0.70 NPC1 (0.48) ALOX5HTR2AHRH1POLB
SCHEMBL522925 0.70 NPC1 (0.48) ALOX5HTR2AHRH1POLB
SCHEMBL4156 0.70 NPC1 (0.48) ALOX5HTR2AHRH1POLB
SCHEMBL27512096 0.70 ALOX5 (0.45) ALOX5GSK3BADRA1D
SCHEMBL4621986 0.69 NPC1 (0.47) ALOX5HTR2AHRH1POLB
SCHEMBL4619913 0.69 NPC1 (0.47) ALOX5HTR2AHRH1POLB
Hydrochloric Acid SCHEMBL27710967 0.69 NPC1 (0.47) ALOX5HTR2AHRH1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5023269-A 3-aryloxy-3-substituted propanamines ELI LILLY AND COMPANY (US) 1991-06-11 US disclosed
EP-0273658-B1 3-ARYLOXY-3-SUBSTITUTED PROPANAMINES ELI LILLY AND COMPANY (US) 1990-10-31 EP disclosed
US-4956388-A ANTIDEPRESSANTS, ANTIANXIETY, TREATMENT OF OBESITY, ADDICTION TO SMOKING AND ALCOHOL ELI LILLY AND COMPANY (US) 1990-09-11 US disclosed
EP-0273658-A1 3-Aryloxy-3-substituted propanamines ELI LILLY AND COMPANY (US) 1988-07-06 EP disclosed