SCHEMBL2906420

SCHEMBL2906420

CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)C1(O)C(=O)CCC1=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 8/20 0.48
KISS1R Q969F8 2/20 0.41
PSMB8 P28062 1/20 0.40
BACE1 P56817 5/20 0.39
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
PSMB1 P20618 1/20 0.38
PSMB9 P28065 1/20 0.38
PSMB5 P28074 1/20 0.38
PSMB10 P40306 1/20 0.38
PSMB2 P49721 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
CTSD P07339 1/20 0.38
SDCBP O00560 1/20 0.38
SDC2 P34741 1/20 0.38

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
SCHEMBL2906422 0.79 OPRD1 (0.44) OPRD1KISS1RPSMB8MMEACE
SCHEMBL2901655 0.78 OPRD1 (0.44) OPRD1KISS1RPSMB8MMEACE
SCHEMBL2901690 0.77 OPRD1 (0.42) OPRD1KISS1RPSMB8BACE1MME
SCHEMBL2906563 0.76 OPRD1 (0.41) OPRD1KISS1RPSMB8MMEACE
SCHEMBL5558457 0.74 OPRD1 (0.61) OPRD1MMEACECPA1ACE2
SCHEMBL5556869 0.74 OPRD1 (0.61) OPRD1MMEACECPA1ACE2
SCHEMBL30663329 0.73 ACE (0.48) OPRD1KISS1RBACE1MMEACE
SCHEMBL29516446 0.73 OPRD1 (0.56) OPRD1BACE1MMEACECPA1
SCHEMBL2906899 0.73 OPRD1 (0.45) OPRD1KISS1RMMEACECPA1
SCHEMBL29511076 0.73 OPRD1 (0.58) OPRD1MMEACECPA1ACE2

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
EP-2239270-A2 Low molecular weight peptide derivatives as inhibitors of the Laminin/Nidogen interaction Sanofi-Aventis Deutschland GmbH (DE) 2010-10-13 EP disclosed
EP-1845106-B1 Low molecular weight peptide derivatives as inhibitors of the laminin/nidogen interaction SANOFI AVENTIS DEUTSCHLAND (DE) 2010-08-11 EP disclosed
EP-1845106-A1 Low molecular weight peptide derivatives as inhibitors of the laminin/nidogen interaction Sanofi-Aventis Deutschland GmbH (DE) 2007-10-17 EP disclosed
EP-1157040-B1 LOW MOLECULAR WEIGHT PEPTIDE DERIVATIVES AS INHIBITORS OF THE LAMININ/NIDOGEN INTERACTION SANOFI AVENTIS DEUTSCHLAND (DE) 2007-08-22 EP disclosed
US-6365572-B1 FOR THERAPY OF DISEASES RELATED TO INCREASED OR UNWANTED SYNTHESIS OF BASEMENT MEMBRANES SUCH AS DIABETES MELLITUS; ATHEROSCLEROSIS; CANCER; DIABETIC RETINOPATHIA; FIBROPLASIA RETROLENTALIS; OR PSORIASIS, RHEUMATOIC ARTHRITIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-02 US disclosed