SCHEMBL5838733

SCHEMBL5838733

CC(c1ccccc1)N1Cc2sc(N)c(C(=O)OC(C)(C)C)c2C[C@H]1CN

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 10/20 0.42
GRM6 O15303 1/20 0.42
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CXCR2 P25025 3/20 0.37
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CHRM2 P08172 3/20 0.33
CHRM4 P08173 3/20 0.33
CHRM5 P08912 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 3/20 0.33

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
SCHEMBL7517368 1.00 ADORA1 (0.42) ADORA1GRM6MAPTMEN1LMNA
SCHEMBL5770132 1.00 ADORA1 (0.42) ADORA1GRM6MAPTMEN1LMNA
SCHEMBL5770130 1.00 ADORA1 (0.42) ADORA1GRM6MAPTMEN1LMNA
SCHEMBL7735418 1.00 ADORA1 (0.42) ADORA1GRM6MAPTMEN1LMNA
SCHEMBL7211154 0.88 ADORA1 (0.38) ADORA1GRM6MAPTMEN1LMNA
SCHEMBL5771598 0.88 ADORA1 (0.38) ADORA1GRM6MAPTMEN1LMNA
SCHEMBL5770553 0.88 ADORA1 (0.38) ADORA1GRM6MAPTMEN1LMNA
SCHEMBL5770549 0.88 ADORA1 (0.38) ADORA1GRM6MAPTMEN1LMNA
SCHEMBL5837501 0.84 ADORA1 (0.39) ADORA1GRM6MAPTMEN1LMNA
SCHEMBL5837504 0.84 ADORA1 (0.39) ADORA1GRM6MAPTMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115624-B1 Method of inhibiting protein tyrosine phosphatase 1B and/or T-cell protein tyrosine phosphatase 4 and/or other PTPases with an Asp residue at position 48 NOVO NORDISK A/S (DK) 2006-10-03 US disclosed
EP-1214324-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2006-06-14 EP disclosed
US-6410556-B1 ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 2002-06-25 US disclosed
EP-1214324-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP disclosed
WO-2001019830-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO disclosed