SCHEMBL7328102

SCHEMBL7328102

COC(=O)[C@H](CCSC)NC(=O)C(CSC(C)=O)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.59
ANPEP P15144 1/20 0.59
LTA4H P09960 1/20 0.56
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
ABCC3 O15438 1/20 0.54
NR1I2 O75469 1/20 0.54
ABCB11 O95342 1/20 0.54
NR3C1 P04150 1/20 0.54
RARG P13631 1/20 0.54
CNR1 P21554 1/20 0.54
OPRK1 P41145 1/20 0.54
NR1H2 P55055 1/20 0.54
PPARA Q07869 1/20 0.54
NR1H3 Q13133 1/20 0.54
NR1I3 Q14994 1/20 0.54
TSHR P16473 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
SCHEMBL7328105 1.00 MME (0.59) MMEANPEPLTA4HCYP1A2CYP3A4
SCHEMBL7328108 1.00 MME (0.59) MMEANPEPLTA4HCYP1A2CYP3A4
SCHEMBL7429646 0.90 USP2 (0.51) MMEANPEPLTA4HCYP1A2CYP3A4
SCHEMBL7429654 0.90 USP2 (0.51) MMEANPEPLTA4HCYP1A2CYP3A4
SCHEMBL11389773 0.90 LTA4H (0.69) MMEANPEPLTA4HFNTAFNTB
SCHEMBL7438012 0.90 LTA4H (0.69) MMEANPEPLTA4HFNTAFNTB
SCHEMBL11125231 0.90 MME (0.55) MMEANPEPLTA4HCYP1A2CYP3A4
SCHEMBL7440341 0.89 MME (0.57) MMEANPEPLTA4HTSHRFNTA
SCHEMBL7440346 0.89 MME (0.57) MMEANPEPLTA4HTSHRFNTA
SCHEMBL8249762 0.89 CYP2C9 (0.56) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-4801609-A Mercapto-acylamino acid antihypertensives SCHERING CORPORATION (US) 1989-01-31 US disclosed
EP-0254032-A2 Neutral metalloendopeptidase inhibitors in the treatment of hypertension SCHERING CORPORATION (US) 1988-01-27 EP disclosed
EP-0066956-A1 Enkephalinase enzyme inhibiting compounds PFIZER INC. (US) 1982-12-15 EP disclosed
US-4329495-A USEFUL AS ANALGESICS OR ANTICONVULSANTS, CHIRAL 2-(2-BENZYL-3-MERCAPTOPROPIONYLAMINO)-THIOBUTYRIC ACIDS, OR ALKANOL DERIVATIVES PFIZER INC. (US) 1982-05-11 US disclosed