SCHEMBL9613755

SCHEMBL9613755

NC(CCOc1c(Cl)ccc2ccccc12)(OC(=O)C(=O)OC(N)(CCOc1c(Cl)ccc2ccccc12)c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
CXCR2 P25025 1/20 0.36
MMP3 P08254 2/20 0.34
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KCNJ8 Q15842 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32

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
SCHEMBL9614037 0.84 HTR1B (0.45) ALDH1A1MAPTHPGDMCL1BCL2
SCHEMBL10484268 0.80 MCL1 (0.35) KCNH2MMP3MEN1ALDH1A1KMT2A
SCHEMBL9613811 0.74 KDM4E (0.50) ALDH1A1KMT2AHPGDMCL1BCL2
SCHEMBL9614067 0.73 MCL1 (0.48) ALDH1A1MAPTHPGDMCL1BCL2
SCHEMBL9613784 0.71 ALDH1A1 (0.44) ALDH1A1KMT2AMAPTHPGDNPC1
Oxalic Acid SCHEMBL9613749 0.70 SCN4A (0.39) KCNH2CXCR2MMP3MEN1KMT2A
SCHEMBL9613953 0.70 MCL1 (0.47) ALDH1A1HPGDCYP1A2CYP2C19MCL1
SCHEMBL9291964 0.68 KCNH2 (0.41) KCNH2MMP3MEN1ALDH1A1KMT2A
SCHEMBL9613906 0.67 MCL1 (0.44) ALDH1A1HPGDMCL1BCL2BCL2L1
SCHEMBL9613801 0.66 HTR1B (0.45) MEN1ALDH1A1KMT2AHPGDMCL1

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