SCHEMBL7704103

SCHEMBL7704103

OCC=Cc1cccc2c1CCO2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 12/20 0.39
SLC9A1 P19634 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MTNR1A P48039 10/20 0.34
PTPN1 P18031 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
DRD3 P35462 1/20 0.34
SLC9A5 Q14940 1/20 0.33
SLC9A2 Q9UBY0 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7696186 1.00 MTNR1B (0.39) MTNR1BSLC9A1KDM4EMTNR1APTPN1
SCHEMBL7696185 1.00 MTNR1B (0.39) MTNR1BSLC9A1KDM4EMTNR1APTPN1
SCHEMBL6274303 0.83 SLC9A1 (0.35) MTNR1BSLC9A1KDM4EMTNR1AHTR2A
SCHEMBL6274305 0.83 SLC9A1 (0.35) MTNR1BSLC9A1KDM4EMTNR1AHTR2A
SCHEMBL23430249 0.83 MTNR1B (0.39) MTNR1BSLC9A1KDM4EMTNR1ASLC9A5
SCHEMBL1536429 0.75 KDM4E (0.65) MTNR1BSLC9A1KDM4EMTNR1ASLC9A5
SCHEMBL1536428 0.75 KDM4E (0.65) MTNR1BSLC9A1KDM4EMTNR1ASLC9A5
SCHEMBL12809257 0.75 CDK4 (0.42) MTNR1BSLC9A1KDM4EMTNR1ADRD2
SCHEMBL19480305 0.75 ITGB2 (0.34) MTNR1BSLC9A1KDM4EMTNR1ASLC9A5
SCHEMBL6271153 0.74 HTR2C (0.41) MTNR1BKDM4EMTNR1ADRD2HTR2A

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
EP-1082115-A4 HETEROCYCLIC CIS CYCLOPROPANE DERIVATIVES AS MELATONERGIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2002-10-24 EP disclosed
US-6214869-B1 SLEEP DISORDERS BRISTOL-MYERS SQUIBB 2001-04-10 US disclosed
EP-1082115-A1 HETEROCYCLIC CIS CYCLOPROPANE DERIVATIVES AS MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-03-14 EP disclosed
WO-1999062515-A1 HETEROCYCLIC CIS CYCLOPROPANE DERIVATIVES AS MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-12-09 WO disclosed