SCHEMBL17550583

SCHEMBL17550583

CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FCER2 P06734 5/20 0.57
MMP1 P03956 2/20 0.57
ACE P12821 1/20 0.52
PTPN1 P18031 1/20 0.52
MME P08473 1/20 0.51
GNPAT O15228 1/20 0.50
REN P00797 1/20 0.50
HPGDS O60760 1/20 0.50
CTSL P07711 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
SCHEMBL25083953 0.93 ALDH1A1 (0.52) FCER2MMP1ACEPTPN1MME
SCHEMBL27519953 0.93 ACE (0.52) FCER2MMP1ACEPTPN1MME
SCHEMBL17550613 0.93 FCER2 (0.54) FCER2MMP1ACEPTPN1MME
SCHEMBL13402940 0.92 MMP1 (0.54) FCER2MMP1PTPN1MME
SCHEMBL17550628 0.91 FCER2 (0.53) FCER2MMP1ACEPTPN1MME
SCHEMBL10362579 0.90 FCER2 (0.65) FCER2MMP1MMEREN
SCHEMBL23870381 0.90 FCER2 (0.61) FCER2MMP1MMEREN
SCHEMBL10364567 0.90 FCER2 (0.65) FCER2MMP1MMEREN
SCHEMBL15145509 0.89 MME (0.53) FCER2MMP1ACEMMEGNPAT
SCHEMBL27267618 0.89 MME (0.53) FCER2MMP1ACEMMEGNPAT

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
EP-2993171-A1 Method for the production of 18F-labeled PSMA-specific PET-tracers Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-03-09 EP disclosed
WO-2016030329-A1 METHOD FOR THE PRODUCTION OF 18F-LABELED ACTIVE ESTERS AND THEIR APPLICATION EXEMPLIFIED BY THE PREPARATION OF A PSMA-SPECIFIC PET-TRACER MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-03-03 WO disclosed