SCHEMBL7880254

SCHEMBL7880254

CN(C)c1ccc(C(=O)N2CCc3sccc3C2c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.60
▸ MAPK1 P28482 3/20 0.60
▸ MAPT P10636 1/20 0.60
▸ HHAT Q5VTY9 1/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.44
▸ TP53 P04637 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ LHCGR P22888 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL7885708 0.91 HHAT (0.56) ALDH1A1MAPK1HHATNPSR1TP53
SCHEMBL7885990 0.87 NPSR1 (0.51) ALDH1A1MAPK1HHATNPSR1LHCGR
SCHEMBL7888339 0.87 MAPK1 (0.60) MAPK1MAPTHHATNPSR1LHCGR
SCHEMBL7887663 0.87 CA12 (0.48) ALDH1A1MAPK1MAPTHHATNPSR1
SCHEMBL8171464 0.86 HHAT (0.51) MAPK1HHATNPSR1TP53POLB
SCHEMBL8171470 0.86 HHAT (0.51) ALDH1A1MAPK1HHATNPSR1TP53
SCHEMBL7892023 0.86 MAPK1 (0.61) MAPK1HHATNPSR1LHCGR
SCHEMBL7891831 0.86 HHAT (0.65) ALDH1A1MAPK1HHATNPSR1TP53
SCHEMBL7889885 0.84 POLB (0.61) MAPK1HHATNPSR1POLBLHCGR
SCHEMBL7889806 0.84 LHCGR (0.53) MAPK1HHATNPSR1TP53POLB

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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