SCHEMBL9613879

SCHEMBL9613879

CN(C)C(CCOc1cccc2ccccc12)(OC(=O)C(=O)OC(CCOc1cccc2ccccc12)(c1cccc(Cl)c1)N(C)C)c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 9/20 0.46
BCL2 P10415 2/20 0.46
BCL2L1 Q07817 2/20 0.46
BAD Q92934 1/20 0.46
HTR1B P28222 4/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
HTR1D P28221 1/20 0.40
TRPM4 Q8TD43 1/20 0.40
TSHR P16473 1/20 0.40
ACKR3 P25106 1/20 0.39
POLB P06746 1/20 0.39
G6PD P11413 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL9613801 0.89 HTR1B (0.45) MCL1BCL2BCL2L1BADHTR1B
SCHEMBL9614076 0.89 HTR1B (0.49) MCL1BCL2BCL2L1BADHTR1B
SCHEMBL9613717 0.88 MCL1 (0.45) MCL1BCL2BCL2L1BADHTR1B
SCHEMBL9613926 0.87 HTR1B (0.43) MCL1BCL2BCL2L1BADHTR1B
SCHEMBL9613816 0.84 HTR1B (0.46) MCL1BCL2BCL2L1BADHTR1B
SCHEMBL9613987 0.84 HTR1B (0.46) HTR1BKDM4EALDH1A1HPGDHTR1D
SCHEMBL9613865 0.83 HTR1B (0.45) MCL1HTR1BKDM4EALDH1A1HPGD
SCHEMBL9613949 0.83 HTR1B (0.45) MCL1HTR1BKDM4EALDH1A1HPGD
SCHEMBL9613777 0.82 HTR1B (0.44) MCL1BCL2BCL2L1BADHTR1B
SCHEMBL9614067 0.82 MCL1 (0.48) MCL1BCL2BCL2L1BADHTR1B

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