SCHEMBL9613801

SCHEMBL9613801

CN(C)C(CCOc1cccc2ccccc12)(OC(=O)C(=O)OC(CCOc1cccc2ccccc12)(c1ccc(Cl)cc1)N(C)C)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 7/20 0.45
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
MCL1 Q07820 4/20 0.42
BCL2 P10415 2/20 0.42
BCL2L1 Q07817 2/20 0.42
BAD Q92934 1/20 0.42
HTR1D P28221 3/20 0.42
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
ATM Q13315 1/20 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
SCHEMBL9614076 0.91 HTR1B (0.49) HTR1BKDM4EALDH1A1HPGDMCL1
SCHEMBL9613987 0.90 HTR1B (0.46) HTR1BKDM4EALDH1A1HPGDHTR1D
SCHEMBL9613816 0.90 HTR1B (0.46) HTR1BKDM4EALDH1A1HPGDMCL1
SCHEMBL9613879 0.89 MCL1 (0.46) HTR1BKDM4EALDH1A1HPGDMCL1
SCHEMBL9613865 0.89 HTR1B (0.45) HTR1BKDM4EALDH1A1HPGDMCL1
SCHEMBL9613777 0.88 HTR1B (0.44) HTR1BKDM4EALDH1A1HPGDMCL1
SCHEMBL9613949 0.85 HTR1B (0.45) HTR1BKDM4EALDH1A1HPGDMCL1
SCHEMBL9613717 0.84 MCL1 (0.45) HTR1BKDM4EALDH1A1HPGDMCL1
SCHEMBL9614132 0.82 HTR1B (0.47) HTR1BKDM4EALDH1A1HPGDMCL1
SCHEMBL9613926 0.82 HTR1B (0.43) HTR1BKDM4EALDH1A1HPGDMCL1

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-5135947-A Treatment of depression, eating disorders, and alcoholism ELI LILLY AND COMPANY (US) 1992-08-04 US disclosed
EP-0288188-B1 1-PHENYL-3-NAPHTHALENYLOXY-PROPANAMINES ELI LILLY AND COMPANY (US) 1991-10-16 EP disclosed