SCHEMBL5508290

SCHEMBL5508290

COC(=O)C1CCN(C(=O)O)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MAPT P10636 5/20 0.43
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 3/20 0.41
CACNA1C Q13936 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41
ABCB1 P08183 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41

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
SCHEMBL5508296 1.00 LMNA (0.43) LMNAMAPTALDH1A1KMT2ACACNA1C
SCHEMBL2993871 0.86 NR3C2 (0.48) LMNAMAPTALDH1A1CACNA1CCACNA1F
SCHEMBL2993869 0.86 NR3C2 (0.48) LMNAMAPTALDH1A1CACNA1CCACNA1F
SCHEMBL5508963 0.79 DRD2 (0.42) ALDH1A1SLC6A2SLC6A4SLC6A3NPSR1
SCHEMBL21200226 0.77 SLC9A1 (0.54) LMNAMAPTALDH1A1KMT2ANPSR1
SCHEMBL29867155 0.77 SLC9A1 (0.54) LMNAMAPTALDH1A1KMT2ANPSR1
SCHEMBL6596250 0.77 ALDH1A1 (0.48) LMNAMAPTALDH1A1KMT2ANPSR1
SCHEMBL30879550 0.76 SLC9A1 (0.62) LMNAMAPTALDH1A1KMT2ACACNA1C
SCHEMBL30879548 0.76 SLC9A1 (0.62) LMNAMAPTALDH1A1KMT2ACACNA1C
SCHEMBL5780021 0.76 SLC9A1 (0.62) LMNAMAPTALDH1A1KMT2ACACNA1C

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-1856096-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Bristol-Myers Squibb Company (US) 2007-11-21 EP disclosed
WO-2006076246-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO disclosed