SCHEMBL7522473

SCHEMBL7522473

OCCCc1cccc2c1SCCO2

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.64
MTNR1B P49286 1/20 0.59
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31

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
SCHEMBL7520556 0.85 MTNR1A (0.61) MTNR1AMTNR1BITGB2ICAM1ITGAL
SCHEMBL7526198 0.85 MTNR1A (0.61) MTNR1AMTNR1BITGB2ICAM1ITGAL
SCHEMBL7524064 0.84 MTNR1A (0.62) MTNR1AMTNR1B
SCHEMBL8476411 0.83 MTNR1A (0.73) MTNR1AMTNR1BCTNNB1WNT3A
SCHEMBL7524013 0.81 MTNR1A (0.57) MTNR1AMTNR1B
SCHEMBL7528370 0.80 MTNR1A (0.58) MTNR1AMTNR1B
SCHEMBL8482684 0.79 MTNR1A (0.65) MTNR1AMTNR1BCTNNB1WNT3A
SCHEMBL7528624 0.79 MTNR1A (0.67) MTNR1AMTNR1BCTNNB1WNT3A
SCHEMBL7526974 0.79 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL7517761 0.79 MTNR1A (1.00) MTNR1AMTNR1BCTNNB1WNT3A

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
CN-1145622-C New heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them ɪά��ʵ���� 2004-04-14 CN disclosed
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