SCHEMBL9614102

SCHEMBL9614102

COc1ccccc1C(N)(CCOc1cccc2ccccc12)OC(=O)C(=O)OC(N)(CCOc1cccc2ccccc12)c1ccccc1OC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HTR1B P28222 7/20 0.45
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
OGG1 O15527 1/20 0.42
HTR1D P28221 1/20 0.42
SLC6A4 P31645 2/20 0.41
HRH1 P35367 1/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL9613948 0.86 HTR1B (0.45) ALDH1A1HPGDKDM4EHTR1BTDP1
SCHEMBL9613953 0.86 MCL1 (0.47) ALDH1A1HPGDKDM4EHTR1BTDP1
SCHEMBL9613784 0.84 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EHTR1BTDP1
SCHEMBL9613811 0.83 KDM4E (0.50) ALDH1A1HPGDKDM4EHTR1BTDP1
SCHEMBL9613852 0.82 HTR1B (0.46) ALDH1A1HPGDKDM4EHTR1BTDP1
SCHEMBL9614037 0.79 HTR1B (0.45) ALDH1A1HPGDKDM4EHTR1BTDP1
SCHEMBL9614067 0.77 MCL1 (0.48) ALDH1A1HPGDKDM4EHTR1BTDP1
SCHEMBL9613906 0.77 MCL1 (0.44) ALDH1A1HPGDKDM4EHTR1BTDP1
SCHEMBL9614132 0.74 HTR1B (0.47) ALDH1A1HPGDKDM4EHTR1BTDP1
SCHEMBL9613949 0.72 HTR1B (0.45) ALDH1A1HPGDKDM4EHTR1BTDP1

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