Proline

Proline

SCHEMBL7401865

CCCCS(=O)(=O)N[C@@H](CCS(C)(=O)=O)C(=O)O.O=C(O)[C@@H]1CCCN1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC5A2

The experimentally established mechanism targets of Proline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.48
ITGA2B P08514 14/20 0.48
ITGAV P06756 3/20 0.42
CHRM2 P08172 1/20 0.41
SLC6A4 P31645 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
PRCP P42785 1/20 0.40

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
SCHEMBL7400749 0.94 ITGB3 (0.50) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7405498 0.85 ITGB3 (0.45) ITGB3ITGA2BITGAVCHRM2SLC6A4
Proline SCHEMBL7406200 0.82 ITGB3 (0.47) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7395698 0.82 ITGB3 (0.47) ITGB3ITGA2BITGAVCHRM2SLC6A4
Proline SCHEMBL7362592 0.80 DPP7 (0.39) DPP7PRCP
SCHEMBL7402072 0.76 ITGB3 (0.48) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7402589 0.74 HDAC8 (0.35) ITGB3ITGA2BDPP7PRCP
Proline SCHEMBL719217 0.72 PRCP (0.46) DPP7PRCP
Proline SCHEMBL719216 0.72 PRCP (0.46) DPP7PRCP
SCHEMBL31522342 0.71 ITGB3 (0.51) ITGB3ITGA2BITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765340-B1 METHIONINE SULFONE AND S-SUBSTITUTED CYSTEINE SULFONE DERIVATIVES AS ENZYME INHIBITORS CORVAS INT INC (US) 2000-08-30 EP disclosed
US-5776927-A THROMBIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1998-07-07 US disclosed
US-5681844-A ANTITHROMBOTIC AGENTS, ANTICOAGULANTS CORVAS INTERNATIONAL, INC. (US) 1997-10-28 US disclosed
US-5658939-A PREVENTION THROMBOSIS IN MAMMALS CORVAS INTERNATIONAL INC. (US) 1997-08-19 US disclosed
US-5646165-A ANTITHROMBOTIC AGENTS CORVAS INTERNATIONAL, INC. (US) 1997-07-08 US disclosed
EP-0765340-A1 METHIONINE SULFONE AND S-SUBSTITUTED CYSTEINE SULFONE DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-04-02 EP disclosed
WO-1995028420-A1 METHIONINE SULFONE AND S-SUBSTITUTED CYSTEINE SULFONE DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1995-10-26 WO disclosed