SCHEMBL7301966

SCHEMBL7301966

CCOC(=O)[C@H]1NCC(=S)C1C(=O)[C@@H]1CCCN1C(=O)CCCCCC1CCc2cc(OC)c(C)cc2C1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.34
HTR7 P34969 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.32
FKBP1A P62942 1/20 0.31
HSD11B1 P28845 1/20 0.31
MAPT P10636 1/20 0.30
MTNR1B P49286 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL7293185 0.82 TSHR (0.36) HTR1AHTR7ALDH1A1KDM4EMAPT
SCHEMBL7304146 0.76 LMNA (0.33) FKBP1A
SCHEMBL7304238 0.75 PREP (0.53) HTR1AHTR7
SCHEMBL7304241 0.75 PREP (0.53) HTR1AHTR7
SCHEMBL7302819 0.73 PREP (0.31) ALDH1A1KDM4E
SCHEMBL7301136 0.73 MEN1 (0.32) ALDH1A1KDM4E
SCHEMBL7295136 0.73 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTCYP3A4MAPK1
SCHEMBL7302892 0.72 PREP (0.42) HTR1AHTR7ALDH1A1KDM4EFKBP1A
SCHEMBL7292875 0.70 ALDH1A1 (0.46) ALDH1A1KDM4EFKBP1A
SCHEMBL9048411 0.69 PREP (0.46)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0372484-B1 Condensed benzene derivative ZERIA PHARM CO LTD (JP) 1994-10-26 EP disclosed
US-5028604-A Cognition Activators ZERIA PHARMACEUTICAL CO., LTD. (JP) 1991-07-02 US disclosed
EP-0372484-A2 Condensed benzene derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 1990-06-13 EP disclosed