SCHEMBL30002041

SCHEMBL30002041

CCC(C(=O)NCc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)N(C)C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.52
MAOA P21397 1/20 0.52
KLKB1 P03952 1/20 0.50
KLK1 P06870 1/20 0.50
FFAR1 O14842 5/20 0.49
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
SCN9A Q15858 1/20 0.44
S1PR1 P21453 1/20 0.44
HTR2A P28223 1/20 0.44
KCNH2 Q12809 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
S1PR5 Q9H228 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TAOK1 Q7L7X3 1/20 0.43
TAOK3 Q9H2K8 1/20 0.43

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
SCHEMBL30001621 1.00 MAOB (0.52) MAOBMAOAKLKB1KLK1FFAR1
Hydrochloric Acid SCHEMBL30002058 0.83 FFAR1 (0.50) MAOBMAOAKLKB1KLK1FFAR1
Hydrochloric Acid SCHEMBL30002046 0.79 KCNH2 (0.56) MAOBMAOAKLKB1KLK1FFAR1
SCHEMBL29383524 0.74 KCNH2 (0.56) KLKB1KLK1TSHRSMN1; SMN2S1PR1
SCHEMBL27212683 0.74 KCNH2 (0.56) KLKB1KLK1TSHRSMN1; SMN2S1PR1
SCHEMBL11475531 0.73 MEN1 (0.54) MAOBMAOAFFAR1SCN9AKCNH2
SCHEMBL13973033 0.73 FFAR1 (0.49) MAOBMAOAFFAR1SMN1; SMN2S1PR1
SCHEMBL17894442 0.72 MAOB (0.48) MAOBMAOATSHRS1PR1HTR2A
SCHEMBL10637956 0.71 PPARG (0.59) KLKB1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL14216112 0.71 NPC1 (0.65) MAOBMAOAFFAR1TSHRSCN9A

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
WO-2022255801-A1 BENZYLOXY-BENZYLAMINYL AMINO ACID DERIVATIVE FOR ADJUSTING TSLP/TSLPR SIGNAL TRANSMISSION (주)앰틱스바이오 2022-12-08 WO disclosed