SCHEMBL7331125

SCHEMBL7331125

CC(=O)NC(CO)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)NC(C(=O)N1CCCC1C(=O)NC([C]=O)C(C)C)C(O)CCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.43
CTSE P14091 1/20 0.43
F2 P00734 4/20 0.43
NMUR2 Q9GZQ4 5/20 0.42
NMUR1 Q9HB89 4/20 0.42
CALCRL Q16602 2/20 0.42
SLC6A2 P23975 1/20 0.42
KISS1R Q969F8 2/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
KDM1A O60341 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
SCHEMBL7320110 0.86 CTSD (0.50) CTSDCTSENMUR2NMUR1
SCHEMBL7332264 0.85 MAGI3 (0.43) CTSDKISS1R
SCHEMBL10376833 0.83 NMUR2 (0.51) F2NMUR2NMUR1KISS1RKDM1A
SCHEMBL7326543 0.82 NMUR2 (0.41) CTSDCTSEF2NMUR2NMUR1
SCHEMBL34460905 0.77 NMUR2 (0.58) NMUR2NMUR1
SCHEMBL31497329 0.77 CALCRL (0.62) NMUR2CALCRLKISS1RKDM1A
SCHEMBL7124762 0.76 NMUR2 (0.52) F2NMUR2NMUR1KISS1RKDM1A
SCHEMBL8441486 0.75 KDM1A (0.54) F2NMUR2NMUR1KISS1RKDM1A
SCHEMBL10378303 0.75 HRH1 (0.41) F2NMUR2NMUR1KISS1R
SCHEMBL10377187 0.75 NMUR2 (0.50) NMUR2NMUR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 WO disclosed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP disclosed