SCHEMBL9216433

SCHEMBL9216433

COC=C(C(=O)O)c1csc2ccc(CON=C(C3CC3)C3CC3)cc12

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.33
MTNR1B P49286 2/20 0.33
TBXAS1 P24557 1/20 0.33
FFAR1 O14842 2/20 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
SCHEMBL9219849 0.91 MTNR1A (0.35) MTNR1AMTNR1BTBXAS1
SCHEMBL9275150 0.88 MEN1 (0.37) MTNR1AMTNR1BTBXAS1FFAR1
SCHEMBL9211525 0.86 NPC1 (0.36) MTNR1AMTNR1B
SCHEMBL9221643 0.85 MTNR1A (0.36) MTNR1AMTNR1BTBXAS1
SCHEMBL9219323 0.82 PPARG (0.36)
SCHEMBL9215417 0.81 MEN1 (0.36) MTNR1AMTNR1BFFAR1
SCHEMBL9213079 0.80 FFAR1 (0.37) TBXAS1FFAR1
SCHEMBL9218525 0.79 SMN1; SMN2 (0.48) TBXAS1FFAR1
SCHEMBL9215312 0.78 MAPT (0.34) MTNR1AMTNR1B
SCHEMBL9278098 0.77 NPC1 (0.35) TBXAS1FFAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0433233-B1 Heterocyclic compounds CIBA GEIGY AG (CH) 1995-01-25 EP claimed