SCHEMBL29288504

SCHEMBL29288504

CCN[C@H](CC(=O)O)c1ccc(F)cc1.[LiH]

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.46
CTSA P10619 6/20 0.45
PRNP P04156 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
EEF2K O00418 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
SLC6A9 P48067 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40
ITGA2B P08514 1/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL29288506 1.00 FFAR1 (0.46) FFAR1CTSAPRNPNPSR1RXFP1
SCHEMBL16679989 0.98 FFAR1 (0.47) FFAR1CTSAPRNPNPSR1RXFP1
SCHEMBL16679992 0.98 FFAR1 (0.47) FFAR1CTSAPRNPNPSR1RXFP1
SCHEMBL1138669 0.83 CYP26A1 (0.51) FFAR1CTSAALDH1A1SMN1; SMN2LMNA
SCHEMBL1138687 0.83 ALDH1A1 (0.52) CTSAEEF2KALDH1A1SMN1; SMN2HPGD
Lithium Ion SCHEMBL29562413 0.83 FAAH (0.39) ALDH1A1SLC6A9HPGDLMNAGAA
SCHEMBL20993600 0.83 HTT (0.54) NPSR1ALDH1A1HPGDLMNAGAA
SCHEMBL28008554 0.83 HTT (0.54) NPSR1ALDH1A1HPGDLMNAGAA
SCHEMBL23722450 0.82 EEF2K (0.47) FFAR1CTSAPRNPNPSR1RXFP1
Hydrochloric Acid SCHEMBL350883 0.81 ALDH1A1 (0.51) CTSAEEF2KALDH1A1SMN1; SMN2HPGD

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
CN-109414441-A Quinazoline and indole compounds for the treatment of medical disorders 艾其林医药公司 2019-03-01 CN disclosed