SCHEMBL8528338

SCHEMBL8528338

N=C(N)NCCC[C@H](C(=O)NCC(=O)O)N(Cc1ccc(CNC(N)=O)cc1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.36
TACR1 P25103 3/20 0.34
LSS P48449 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
NNMT P40261 2/20 0.33
NPY4R P50391 1/20 0.33
GCGR P47871 1/20 0.33
GIPR P48546 1/20 0.33
MDM2 Q00987 1/20 0.33
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
MCHR1 Q99705 1/20 0.32
TMPRSS6 Q8IU80 2/20 0.32
F2 P00734 1/20 0.32
NPY1R P25929 1/20 0.32

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
SCHEMBL8528194 0.83 F7 (0.40) MCHR1F2
SCHEMBL8526111 0.82 TMEM97 (0.38) F2
SCHEMBL8526482 0.81 KMT2A (0.40) MCHR1F2
SCHEMBL8527067 0.80 ALDH1A1 (0.41) MCHR1
SCHEMBL8654742 0.77 TRPM8 (0.33) CCR2TACR1LSSTRPM8NNMT
SCHEMBL8526200 0.76 HDAC1 (0.35)
SCHEMBL8584650 0.76
SCHEMBL7045274 0.75 KDM4E (0.42) MDM2
SCHEMBL8122129 0.75 F7 (0.40) NPY4RF2NPY1R
SCHEMBL7039253 0.74 CASR (0.38)

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-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 WO disclosed