SCHEMBL1076948

SCHEMBL1076948

CCC(C(=O)NCc1cccc(C)n1)N(c1ccc(OC)nc1)S(=O)(=O)c1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 3/20 0.44
▸ HCRTR2 O43614 3/20 0.44
▸ OXTR P30559 17/20 0.43
▸ AVPR1A P37288 5/20 0.41
▸ AVPR2 P30518 4/20 0.41
▸ AVPR1B P47901 1/20 0.39

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
SCHEMBL6183374 0.78 HCRTR1 (0.45) HCRTR1HCRTR2OXTRAVPR1AAVPR2
SCHEMBL6185927 0.75 HPGD (0.43) —
SCHEMBL1039168 0.73 HCRTR2 (0.72) HCRTR1HCRTR2OXTRAVPR1AAVPR2
SCHEMBL1076526 0.72 HPGD (0.39) —
SCHEMBL6183808 0.72 HCRTR2 (0.42) HCRTR2
SCHEMBL6199052 0.71 HIF1A (0.42) —
SCHEMBL4613644 0.71 HCRTR1 (0.49) HCRTR1HCRTR2OXTRAVPR1AAVPR2
SCHEMBL1078296 0.70 PTGER1 (0.44) —
SCHEMBL4465521 0.69 HCRTR1 (0.55) HCRTR1HCRTR2OXTRAVPR1AAVPR2
SCHEMBL6203784 0.69 TDP1 (0.39) —

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-1554239-B1 SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-01-26 — — EP disclosed
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