SCHEMBL7880517

SCHEMBL7880517

O=C(c1ccc(Cl)s1)N1CCc2sccc2C1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ LHCGR P22888 12/20 0.46
▸ HHAT Q5VTY9 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
SCHEMBL8186542 0.88 HHAT (0.44) MAPK1NPSR1LHCGRHHAT
SCHEMBL7889696 0.85 HHAT (0.63) MAPK1NPSR1LHCGRHHAT
SCHEMBL7888339 0.84 MAPK1 (0.60) MAPK1NPSR1LHCGRHHAT
SCHEMBL7891897 0.83 LHCGR (0.59) MAPK1NPSR1LHCGRHHAT
SCHEMBL7886067 0.83 MAPK1 (0.53) MAPK1NPSR1LHCGRHHAT
SCHEMBL7885990 0.80 NPSR1 (0.51) MAPK1NPSR1LHCGRHHAT
SCHEMBL7887663 0.80 CA12 (0.48) MAPK1NPSR1LHCGRHHAT
SCHEMBL8490074 0.78 MAPK1 (0.47) MAPK1NPSR1LHCGRHHAT
SCHEMBL7880254 0.77 ALDH1A1 (0.60) MAPK1NPSR1LHCGRHHAT
SCHEMBL8226033 0.75 LHCGR (0.59) MAPK1NPSR1LHCGRHHAT

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
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