SCHEMBL4370

SCHEMBL4370

Cc1ccc(C(O)CCN(C)C)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.40
ALOX5 P09917 1/20 0.39
HTR2A P28223 2/20 0.36
HRH1 P35367 2/20 0.36
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
UTS2R Q9UKP6 3/20 0.31
TOP2A P11388 1/20 0.31
TOP2B Q02880 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 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
SCHEMBL2681 0.81 MAPK1 (0.42) HTR2AHRH1ALDH1A1KMT2AUTS2R
SCHEMBL23522265 0.78 HTR1A (0.42) HTR1AALOX5ALDH1A1LMNACYP2C9
SCHEMBL9373399 0.75 ALOX5 (0.41) HTR1AALOX5ALDH1A1LMNACYP2C9
SCHEMBL23258340 0.75 ALOX5 (0.41) HTR1AALOX5ALDH1A1LMNACYP2C9
SCHEMBL5247753 0.75 HTR1A (0.42) HTR1AALOX5ALDH1A1LMNACYP2C9
SCHEMBL25471154 0.74 ALOX5 (0.41) HTR1AALOX5ALDH1A1LMNACYP2C9
SCHEMBL11605976 0.73 ALOX5 (0.40) HTR1AALOX5ALDH1A1LMNACYP2C9
SCHEMBL4156 0.71 NPC1 (0.48) HTR1AALOX5HTR2AHRH1LMNA
SCHEMBL1200623 0.71 NPC1 (0.48) HTR1AALOX5HTR2AHRH1LMNA
SCHEMBL522925 0.71 NPC1 (0.48) HTR1AALOX5HTR2AHRH1LMNA

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