SCHEMBL7755582

SCHEMBL7755582

CCCc1ccc2c(c1)C(CCNC(C)=O)CO2

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.51
MTNR1B P49286 11/20 0.51
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR2C P28335 1/20 0.43
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
PTGS1 P23219 1/20 0.40
BLM P54132 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NQO2 P16083 3/20 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
SCHEMBL7757677 0.93 MTNR1A (0.54) MTNR1AMTNR1BALDH1A1KDM4EHTR1A
SCHEMBL7757152 0.90 MTNR1A (0.50) MTNR1AMTNR1BHTR1AHTR1DHTR2C
SCHEMBL132847 0.80 MTNR1A (0.66) MTNR1AMTNR1BHTR2CNQO2
SCHEMBL7752947 0.78 HTR1A (0.56) ALDH1A1HTR1AHTR1DHTR2C
SCHEMBL6210723 0.76 HTR1A (0.46) HTR1AHTR1DHTR2CMAPT
SCHEMBL8574792 0.75 MTNR1A (0.58) MTNR1AMTNR1BNQO2
SCHEMBL8574790 0.75 MTNR1A (0.58) MTNR1AMTNR1BNQO2
SCHEMBL138000 0.72 MTNR1A (0.51) MTNR1AMTNR1BNQO2
SCHEMBL135119 0.71 MTNR1A (0.65) MTNR1AMTNR1BNQO2
SCHEMBL7757639 0.71 HTR2C (0.53) HTR1AHTR1DHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021041702-A1 MODULATORS OF CIRCADIAN RHYTHMS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-03-04 WO disclosed
EP-0721947-B1 Alkyl(hetero)cyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-03-14 EP disclosed
US-5703121-A SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1997-12-30 US disclosed
EP-0721947-A1 Alkyl(hetero)cyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-07-17 EP disclosed