SCHEMBL7517873

SCHEMBL7517873

CNC(=O)CCc1cccc2c1S(=O)(=O)CCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 1.00
MTNR1B P49286 5/20 0.40
NR4A2 P43354 1/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL8479788 0.84 MTNR1A (0.72) MTNR1ASMN1; SMN2
SCHEMBL7526482 0.79 MTNR1A (0.85) MTNR1AMTNR1BCTNNB1WNT3A
SCHEMBL7523790 0.74 MTNR1A (0.86) MTNR1AMTNR1BNR4A2CTNNB1WNT3A
SCHEMBL7520035 0.71 MTNR1A (1.00) MTNR1AMTNR1BCTNNB1WNT3A
SCHEMBL7524387 0.70 MTNR1A (1.00) MTNR1AMTNR1BCTNNB1WNT3A
SCHEMBL7520038 0.68 MTNR1A (0.67) MTNR1AMTNR1B
SCHEMBL7517761 0.68 MTNR1A (1.00) MTNR1AMTNR1BCTNNB1WNT3ANPC1
SCHEMBL7520703 0.67 MTNR1A (0.93) MTNR1AMTNR1BCTNNB1WNT3A
SCHEMBL7517881 0.67 MTNR1A (0.50) MTNR1AMTNR1BSMN1; SMN2
SCHEMBL13942638 0.65 MTNR1A (0.48) MTNR1AMTNR1BNPC1RAB9ASMN1; SMN2

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