SCHEMBL7757677

SCHEMBL7757677

CCCCc1ccc2c(c1)C(CCNC(C)=O)CO2

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.54
MTNR1B P49286 6/20 0.54
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR2C P28335 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
PTGS1 P23219 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL7755582 0.93 MTNR1A (0.51) MTNR1AMTNR1BHTR1AHTR1DHTR2C
SCHEMBL7757152 0.88 MTNR1A (0.50) MTNR1AMTNR1BHTR1AHTR1DHTR2C
SCHEMBL7757639 0.79 HTR2C (0.53) HTR1AHTR1DHTR2C
SCHEMBL132847 0.78 MTNR1A (0.66) MTNR1AMTNR1BHTR2C
SCHEMBL8569261 0.76 MTNR1A (0.56) MTNR1AMTNR1B
SCHEMBL8569263 0.76 MTNR1A (0.56) MTNR1AMTNR1B
SCHEMBL7752947 0.71 HTR1A (0.56) HTR1AHTR1DHTR2CALDH1A1
SCHEMBL8035039 0.71 MTNR1A (0.50) MTNR1AMTNR1B
SCHEMBL135119 0.70 MTNR1A (0.65) MTNR1AMTNR1B
SCHEMBL6076698 0.69 MTNR1A (0.64) MTNR1AMTNR1B

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-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