SCHEMBL28201169

SCHEMBL28201169

CCC(CCC(=O)O)NC(=O)c1cnn[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TAS1R3 Q7RTX0 4/20 0.35
TAS1R1 Q7RTX1 4/20 0.35
PLA2G2C Q5R387 1/20 0.34
ANPEP P15144 1/20 0.33
ENPEP Q07075 1/20 0.33
CCKBR P32239 3/20 0.33
DRD2 P14416 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
PLA2G10 O15496 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL28200545 0.83 NAALAD2 (0.37) NAALAD2HTTALDH1A1KDM4EHPGD
SCHEMBL28108424 0.75 FPR2 (0.41) ALDH1A1TAS1R3TAS1R1KDM4EHPGD
SCHEMBL28108428 0.73 NAALAD2 (0.35) NAALAD2HTTALDH1A1TAS1R3TAS1R1
SCHEMBL13446576 0.71 ADORA3 (0.32) ADORA3ADORA2AADORA2BADORA1
SCHEMBL28108413 0.70 L3MBTL1 (0.41) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28201172 0.69 MME (0.38) NAALAD2HTTADORA3ADORA2AADORA2B
SCHEMBL1479318 0.67 PLA2G2C (0.55) NAALAD2PLA2G2CANPEPENPEPKDM4E
SCHEMBL13446570 0.67
SCHEMBL14121455 0.67 MMEL1 (0.40) ALDH1A1
SCHEMBL3503915 0.66 PLA2G2C (0.54) NAALAD2PLA2G2CANPEPENPEPKDM4E

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-104520277-B Enkephalinase inhibitors 施万生物制药研发IP有限责任公司 2018-01-19 CN disclosed