SCHEMBL7314516

SCHEMBL7314516

O=C(C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR34 Q9UPC5 1/20 0.42
MME P08473 3/20 0.41
KIFC1 Q9BW19 1/20 0.41
MRGPRX4 Q96LA9 3/20 0.40
VNN1 O95497 1/20 0.40
LTA4H P09960 1/20 0.40
ACE P12821 2/20 0.40
FPR2 P25090 1/20 0.40
ECE1 P42892 1/20 0.40
GPR132 Q9UNW8 1/20 0.40
CETP P11597 1/20 0.39

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
SCHEMBL7314261 1.00 GPR34 (0.42) GPR34MMEKIFC1MRGPRX4VNN1
SCHEMBL7314251 1.00 GPR34 (0.42) GPR34MMEKIFC1MRGPRX4VNN1
SCHEMBL7314543 1.00 GPR34 (0.42) GPR34MMEKIFC1MRGPRX4VNN1
SCHEMBL7322360 0.88 MME (0.49) MMELTA4H
SCHEMBL7307744 0.88 MME (0.49) MMELTA4H
SCHEMBL7307690 0.88 MME (0.49) MMELTA4H
SCHEMBL7307711 0.88 MME (0.49) MMELTA4H
SCHEMBL7347160 0.86 KMO (0.43) MMELTA4H
SCHEMBL7347192 0.86 KMO (0.43) MMELTA4H
SCHEMBL7347170 0.86 KMO (0.43) MMELTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5459131-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1995-10-17 US disclosed