SCHEMBL7891997

SCHEMBL7891997

O=C(c1ccc(F)cc1)N1CCc2sccc2C1c1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 4/20 0.56
HHAT Q5VTY9 1/20 0.51
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL8170392 0.91 LHCGR (0.48) LHCGRHHATMAPK1NPSR1CA12
SCHEMBL7880479 0.89 LHCGR (0.64) LHCGRHHATMAPK1NPSR1
SCHEMBL7885995 0.88 HHAT (0.66) LHCGRHHATMAPK1NPSR1
SCHEMBL7880311 0.87 POLB (0.61) LHCGRHHATMAPK1
SCHEMBL7888302 0.86 MAPK1 (0.65) LHCGRHHATMAPK1NPSR1
SCHEMBL7889806 0.86 LHCGR (0.53) LHCGRHHATMAPK1NPSR1
SCHEMBL8171464 0.84 HHAT (0.51) LHCGRHHATMAPK1NPSR1CA12
SCHEMBL7885990 0.83 NPSR1 (0.51) LHCGRHHATMAPK1NPSR1CA12
SCHEMBL7880476 0.81 NPSR1 (0.50) LHCGRHHATMAPK1NPSR1
SCHEMBL7887722 0.80 MAPK1 (0.72) LHCGRHHATMAPK1NPSR1CA12

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
US-6177443-B1 ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 2001-01-23 US disclosed
EP-0973778-A1 4,5,6,7-TETRAHYDRO-THIENO 3,2-c]PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-01-26 EP disclosed
WO-1998040385-A1 4,5,6,7-TETRAHYDRO-THIENO[3,2-c]PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1998-09-17 WO disclosed