SCHEMBL30002836

SCHEMBL30002836

CCC(NC)C(=O)NCc1ccc(OCc2cccc(Cl)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.59
MAOB P27338 5/20 0.54
MAOA P21397 2/20 0.54
ALOX5 P09917 1/20 0.53
RXRA P19793 1/20 0.52
RXRB P28702 1/20 0.52
RXRG P48443 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
ALOX12 P18054 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
FFAR1 O14842 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
FAAH O00519 1/20 0.49

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
SCHEMBL30002267 1.00 GID4 (0.59) GID4MAOBMAOAALOX5RXRA
SCHEMBL30001520 0.88 NPC1 (0.53) MAOBMAOANPC1RAB9AALDH1A1
SCHEMBL30002878 0.88 NPC1 (0.53) MAOBMAOANPC1RAB9AALDH1A1
SCHEMBL30001953 0.85 CTSL (0.56) GID4MAOBMAOAALOX5
SCHEMBL29152266 0.85 CTSL (0.56) GID4MAOBMAOAALOX5
SCHEMBL8935332 0.83 GID4 (0.62) GID4MAOBMAOAALOX5RXRA
SCHEMBL8935439 0.80 GID4 (0.61) GID4MAOBMAOAALOX5RXRA
SCHEMBL7395180 0.78 MAOB (0.54) GID4MAOBMAOAALOX5RXRA
SCHEMBL3061396 0.78 MAOB (0.54) GID4MAOBMAOAALOX5RXRA
SCHEMBL8935243 0.78 GID4 (0.74) GID4MAOBMAOAALOX5RXRA

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