SCHEMBL7522499

SCHEMBL7522499

CC(=O)NCCOc1cccc2c1OCCC2

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.68
MTNR1B P49286 5/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
TIPARP Q7Z3E1 1/20 0.41

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
SCHEMBL7523679 0.81 MTNR1A (1.00) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL7519527 0.78 MTNR1A (1.00) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL7524518 0.76 KDM4E (0.44) MTNR1AKDM4EHPGDRAB9A
SCHEMBL7519010 0.76 HTR1A (0.38) MTNR1A
SCHEMBL9091731 0.76 ALDH1A1 (0.43) MTNR1AKDM4EALDH1A1
SCHEMBL7524073 0.76 HTR1A (0.52) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL9093284 0.75 GRIN2B (0.43) MTNR1AKDM4EALDH1A1
SCHEMBL7521758 0.74 MTNR1A (1.00) MTNR1AMTNR1BKDM4EALDH1A1HPGD
Bicarbonate SCHEMBL9415505 0.73 CTNNB1 (0.44) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL9090101 0.71 GRIN2B (0.44) MTNR1A

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-0873993-B1 Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-02-20 EP disclosed
US-5919814-A Heterocyclic compounds ADIR ET COMPAGNIE (FR) 1999-07-06 US disclosed
EP-0873993-A1 Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-10-28 EP disclosed