SCHEMBL7322646

SCHEMBL7322646

CSCC[C@H](NC(=O)[C@@H](CSC(C)=O)Cc1ccccc1)C(N)=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.57
ANPEP P15144 1/20 0.57
LTA4H P09960 1/20 0.57
FCER2 P06734 1/20 0.53
FNTA P49354 6/20 0.52
FNTB P49356 6/20 0.52
PGGT1B P53609 6/20 0.52
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ABCC3 O15438 1/20 0.50
NR1I2 O75469 1/20 0.50
ABCB11 O95342 1/20 0.50
NR3C1 P04150 1/20 0.50
RARG P13631 1/20 0.50
CNR1 P21554 1/20 0.50
OPRK1 P41145 1/20 0.50
NR1H2 P55055 1/20 0.50

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
SCHEMBL7322641 1.00 MME (0.57) MMEANPEPLTA4HFCER2FNTA
SCHEMBL7438012 0.91 LTA4H (0.69) MMEANPEPLTA4HFNTAFNTB
SCHEMBL11389773 0.91 LTA4H (0.69) MMEANPEPLTA4HFNTAFNTB
SCHEMBL7318233 0.89 MME (0.56) MMEANPEPLTA4HFNTAFNTB
SCHEMBL7328108 0.88 MME (0.59) MMEANPEPLTA4HFNTAFNTB
SCHEMBL7328102 0.88 MME (0.59) MMEANPEPLTA4HFNTAFNTB
SCHEMBL7328105 0.88 MME (0.59) MMEANPEPLTA4HFNTAFNTB
SCHEMBL9808987 0.86 FCER2 (0.53) MMEANPEPFCER2CYP1A2CYP3A4
SCHEMBL9809009 0.86 FCER2 (0.53) MMEANPEPFCER2CYP1A2CYP3A4
SCHEMBL7441227 0.85 ANPEP (0.54) MMEANPEPLTA4HFNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0254032-A2 Neutral metalloendopeptidase inhibitors in the treatment of hypertension SCHERING CORPORATION (US) 1988-01-27 EP claimed
US-5262436-A Administering; enzyme inhibitor SCHERING CORPORATION (US) 1993-11-16 US disclosed
EP-0566157-A1 Neutral metalloendopeptidase inhibitors in the treatment of hypertension SCHERING CORPORATION (US) 1993-10-20 EP disclosed
US-5061710-A Atrial natriuretic factors SCHERING CORPORATION (US) 1991-10-29 US disclosed
US-4929641-A DIURETICS, ANGIOTENSIN CONVERTING ENZYMES SCHERING CORPORATION (US) 1990-05-29 US disclosed
EP-0254032-A2 Neutral metalloendopeptidase inhibitors in the treatment of hypertension SCHERING CORPORATION (US) 1988-01-27 EP disclosed