SCHEMBL2906545

SCHEMBL2906545

CC(C)(C)CNC(=O)[C@@]1(C)C(=O)CCC(=O)N1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.39
FCER2 P06734 2/20 0.37
MMP9 P14780 1/20 0.37
DPP4 P27487 1/20 0.36
KISS1R Q969F8 2/20 0.36
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
CTSC P53634 1/20 0.34
MC4R P32245 5/20 0.34
MC3R P41968 5/20 0.34
MC1R Q01726 5/20 0.34
MME P08473 2/20 0.34
ACE P12821 2/20 0.34
CPA1 P15085 2/20 0.34
ACE2 Q9BYF1 2/20 0.34
IDE P14735 1/20 0.34
PSMB8 P28062 1/20 0.33
SDCBP O00560 1/20 0.33
SDC2 P34741 1/20 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
SCHEMBL2905590 0.88 KISS1R (0.40) OPRD1MMP9DPP4KISS1RMC4R
SCHEMBL2905764 0.83 OPRD1 (0.36) OPRD1DPP4KISS1RMC4RMC3R
SCHEMBL2901690 0.78 OPRD1 (0.42) OPRD1FCER2MMP9DPP4KISS1R
SCHEMBL2906899 0.78 OPRD1 (0.45) OPRD1MMP9KISS1RMC4RMC3R
SCHEMBL2906422 0.77 OPRD1 (0.44) OPRD1MMP9DPP4KISS1RCTSC
SCHEMBL2901655 0.75 OPRD1 (0.44) OPRD1MMP9DPP4KISS1RMME
SCHEMBL2906563 0.74 OPRD1 (0.41) OPRD1MMP9DPP4KISS1RCTSC
SCHEMBL2906420 0.69 OPRD1 (0.48) OPRD1KISS1RMMEACECPA1
SCHEMBL30995920 0.67 FCER2 (0.63) OPRD1FCER2MMP9CTSCMC1R
SCHEMBL30663329 0.66 ACE (0.48) OPRD1KISS1RMMEACECPA1

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