SCHEMBL30492811

SCHEMBL30492811

CCOC(=O)c1cc2ccc(N3CCN(C)CC3)cc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.58
RAB9A P51151 4/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 3/20 0.53
NPC1 O15118 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
ATM Q13315 1/20 0.53
HSD17B10 Q99714 1/20 0.51
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
HRH4 Q9H3N8 5/20 0.47
MMP2 P08253 2/20 0.47

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
SCHEMBL30492866 0.82 HRH4 (0.53) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL27518073 0.81 KDM4E (0.64) ALOX15RAB9AKDM4EALDH1A1HPGD
SCHEMBL6307136 0.80 KDM4E (0.60) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL15642611 0.78 KDM4E (0.57) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL5623372 0.76 KDM4E (0.78) ALOX15RAB9AKDM4EALDH1A1HPGD
SCHEMBL7943312 0.75 HRH4 (0.48) ALOX15RAB9AKDM4EALDH1A1HPGD
SCHEMBL17368519 0.75 ALOX15 (0.72) ALOX15RAB9AKDM4EALDH1A1HPGD
SCHEMBL4907791 0.75 ALOX15 (0.72) ALOX15RAB9AKDM4EALDH1A1HPGD
SCHEMBL71101 0.75 ALOX15 (0.72) ALOX15RAB9AKDM4EALDH1A1HPGD
SCHEMBL23010838 0.75 HTR3A (0.54) RAB9AKDM4EALDH1A1HPGDNPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025002040-A1 CRYSTAL FORM OR SALT OF BICYCLIC HETEROARYL AMIDE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海京新生物医药有限公司 2025-01-02 WO disclosed
CN-118488951-A Fused bicyclic heteroaryl amide compounds as inhibitors of protein aggregation 上海京新生物医药有限公司 2024-08-13 CN disclosed
WO-2023125376-A1 FUSED BICYCLIC HETEROARYL AMIDE COMPOUND AS PROTEIN AGGREGATION INHIBITOR 上海京新生物医药有限公司 2023-07-06 WO disclosed