SCHEMBL7757152

SCHEMBL7757152

CCc1ccc2c(c1)C(CCNC(C)=O)CO2

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.50
MTNR1B P49286 11/20 0.50
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR2C P28335 1/20 0.44
HCRTR2 O43614 1/20 0.43
NQO2 P16083 4/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LTA4H P09960 1/20 0.39
TP53 P04637 1/20 0.38

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 0.90 MTNR1A (0.51) MTNR1AMTNR1BHTR1AHTR1DHTR2C
SCHEMBL7757677 0.88 MTNR1A (0.54) MTNR1AMTNR1BHTR1AHTR1DHTR2C
SCHEMBL132847 0.81 MTNR1A (0.66) MTNR1AMTNR1BHTR2CNQO2
SCHEMBL7752945 0.77 HTR1A (0.58) HTR1AHTR1DHTR2CHCRTR2MEN1
SCHEMBL8432485 0.74 MTNR1A (0.61) MTNR1AMTNR1BNQO2
SCHEMBL8574906 0.74 MTNR1A (0.61) MTNR1AMTNR1BNQO2
SCHEMBL6076698 0.72 MTNR1A (0.64) MTNR1AMTNR1BNQO2
SCHEMBL8278122 0.72 HCRTR2 (0.43) MTNR1AHCRTR2MEN1KMT2ATP53
SCHEMBL136496 0.72 MTNR1A (0.64) MTNR1AMTNR1BNQO2
SCHEMBL3652699 0.72 MTNR1A (0.54) MTNR1AMTNR1BNQO2

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