SCHEMBL30201480

SCHEMBL30201480

O=C(O)c1ccc2c3c([nH]c2c1)CCCC3

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.63
KMT2A Q03164 6/20 0.63
KDM4E B2RXH2 5/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
MEN1 O00255 5/20 0.63
LMNA P02545 3/20 0.63
ALDH1A1 P00352 2/20 0.63
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
HSD17B10 Q99714 2/20 0.63
HPGD P15428 2/20 0.63
HTT P42858 1/20 0.63
F2 P00734 1/20 0.51
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TP53 P04637 1/20 0.50
CASP1 P29466 1/20 0.50
GFER P55789 2/20 0.49
MPL P40238 1/20 0.48

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
SCHEMBL2484751 1.00 MAPT (0.63) MAPTKMT2AKDM4ESMN1; SMN2MEN1
SCHEMBL2220908 0.90 ALDH1A1 (0.57) MAPTKMT2AKDM4ESMN1; SMN2MEN1
SCHEMBL14651018 0.88 SMN1; SMN2 (0.58) MAPTKMT2AKDM4ESMN1; SMN2MEN1
SCHEMBL29643236 0.88 MAPT (0.70) MAPTKMT2AKDM4ESMN1; SMN2MEN1
SCHEMBL1586929 0.88 MAPT (0.70) MAPTKMT2AKDM4ESMN1; SMN2MEN1
SCHEMBL30571064 0.86 MAPT (0.62) MAPTKMT2AKDM4ESMN1; SMN2MEN1
SCHEMBL10738593 0.86 MAPT (0.68) MAPTKMT2AKDM4ESMN1; SMN2MEN1
SCHEMBL4283723 0.84 MAPT (0.66) MAPTKMT2AKDM4ESMN1; SMN2MEN1
SCHEMBL2485234 0.82 MAPT (0.61) MAPTKMT2AKDM4ESMN1; SMN2MEN1
SCHEMBL6688391 0.81 MAPT (0.60) MAPTKMT2AKDM4ESMN1; SMN2MEN1

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
CN-117729914-A Serotonin 5-HT2B inhibiting compounds 硕腾服务有限责任公司 2024-03-19 CN disclosed
WO-2023009330-A1 SEROTONIN 5-HT2B INHIBITORY COMPOUNDS ZOETIS SERVICES LLC (US) 2023-02-02 WO disclosed