SCHEMBL7384375

SCHEMBL7384375

CC(C)CC(NCC(C(=O)O)c1cncn1Cc1cccc(F)c1F)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.38
ACE P12821 3/20 0.38
NTSR1 P30989 5/20 0.34
GRN P28799 2/20 0.34
SORT1 Q99523 2/20 0.34
P2RX7 Q99572 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32
CAPN1 P07384 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
SCHEMBL7374947 0.92 ACE2 (0.39) ACE2ACENTSR1GRNSORT1
SCHEMBL7375023 0.85 ACE2 (0.39) ACE2ACENTSR1GRNSORT1
SCHEMBL3715236 0.85 ACE2 (0.39) ACE2ACENTSR1GRNSORT1
SCHEMBL7383288 0.85 ACE2 (0.41) ACE2ACENTSR1GRNSORT1
SCHEMBL7375034 0.85 ANPEP (0.43) ACE2ACENTSR1GRNSORT1
SCHEMBL7398069 0.85 P2RY14 (0.38) ACE2ACEGRNSORT1
SCHEMBL7382228 0.84 ACE2 (0.43) ACE2ACEGRNSORT1
SCHEMBL3707154 0.83 CD274 (0.42) ACE2ACE
SCHEMBL3714339 0.83 ACE2 (0.43) ACE2ACENTSR1
SCHEMBL7389292 0.82 ALDH1A1 (0.42) ACE2ACENTSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002543120-A 2002-12-17 JP claimed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO claimed
EP-1183019-A2 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2002-03-06 EP claimed
WO-2000066104-A2 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2000-11-09 WO claimed
WO-2000066104-A9 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARM INC (US) 2002-08-29 WO disclosed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO disclosed