SCHEMBL6935748

SCHEMBL6935748

COc1ccccc1SC(CC=O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
KMT2A Q03164 3/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
POLB P06746 1/20 0.34
HAO1 Q9UJM8 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HTT P42858 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34

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
SCHEMBL7068243 0.76 KMT2A (0.41) MTNR1AMTNR1BKMT2ASLC6A2SLC6A4
SCHEMBL10509688 0.71 MTNR1A (0.50) MTNR1AMTNR1BKMT2ACA12CA1
SCHEMBL10564065 0.71 MTNR1A (0.43) MTNR1AMTNR1BKMT2ACA12CA1
SCHEMBL5962399 0.70 CA1 (0.50) MTNR1AMTNR1BKMT2ASLC6A2SLC6A4
SCHEMBL6068422 0.70 MTNR1A (0.46) MTNR1AMTNR1BKMT2ACA12CA1
SCHEMBL6068419 0.70 MTNR1A (0.46) MTNR1AMTNR1BKMT2ACA12CA1
SCHEMBL6068534 0.70 MTNR1A (0.46) MTNR1AMTNR1BKMT2ACA12CA1
SCHEMBL29144729 0.70 KMT2A (0.39) MTNR1AMTNR1BKMT2ASLC6A2SLC6A4
SCHEMBL9621601 0.69 MTNR1A (0.55) MTNR1AMTNR1BKMT2ACA12CA1
SCHEMBL28091963 0.69 CA1 (0.48) MTNR1AMTNR1BKMT2ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370547-A1 BENZOAXATHIEPIN DERIVATIVES AND THEIR USE AS MEDICINES PIERRE FABRE MEDICAMENT (FR) 2003-12-17 EP disclosed
WO-2002081464-A1 BENZOAXATHIEPIN DERIVATIVES AND THEIR USE AS MEDICINES PIERRE FABRE MEDICAMENT (FR) 2002-10-17 WO disclosed