SCHEMBL24526992

SCHEMBL24526992

CC(C)(C)OC(=O)N1CC(F)(F)CC1c1cc(F)cc(C(=O)NC[C@@H](N)C(=O)O)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.33
TACR1 P25103 6/20 0.33
DPP4 P27487 1/20 0.33
GPR119 Q8TDV5 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
JAK2 O60674 1/20 0.31
NTRK1 P04629 1/20 0.31
ROCK2 O75116 1/20 0.30
CACNA1G O43497 1/20 0.30
CACNA1H O95180 1/20 0.30
CACNA1I Q9P0X4 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2C Q14957 1/20 0.30

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
SCHEMBL24527120 0.85 MMP9 (0.37) MMP9KDM4EPKMROCK2
SCHEMBL24526756 0.82 TACR1 (0.35) TACR1JAK2NTRK1ROCK2
SCHEMBL29759291 0.82 TACR1 (0.35) TACR1JAK2NTRK1ROCK2
SCHEMBL24527025 0.80 UCHL1 (0.38) TACR1JAK2NTRK1ROCK2
SCHEMBL24526758 0.78 MMP9 (0.37) MMP9KDM4EPKM
SCHEMBL29759170 0.75 PRMT5 (0.43) KDM4EPKMCACNA1GCACNA1HCACNA1I
SCHEMBL24526523 0.75 PRMT5 (0.43) KDM4EPKMCACNA1GCACNA1HCACNA1I
SCHEMBL24527003 0.73 GRIN3B (0.35) CACNA1GCACNA1HCACNA1IGRIN3BGRIN1
SCHEMBL456786 0.73 AR (0.36) TACR1GPR119
SCHEMBL12477897 0.73 AR (0.36) TACR1GPR119

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
WO-2022129047-A2 NOVEL MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2022-06-23 WO disclosed
WO-2022129047-A2 NOVEL MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2022-06-23 WO disclosed