SCHEMBL30433684

SCHEMBL30433684

Cc1ccc(C2NCCCC2O)o1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 11/20 0.61
CHRM5 P08912 11/20 0.61
CHRM3 P20309 11/20 0.61
CHRM4 P08173 10/20 0.61
CHRM1 P11229 10/20 0.61
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 3/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
CASP1 P29466 1/20 0.33
PRPS1 P60891 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
SCHEMBL2710474 0.76 CHRM2 (1.00) CHRM2CHRM5CHRM3CHRM4CHRM1
Oxalic Acid SCHEMBL955838 0.72 CHRM2 (0.82) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL16446405 0.68 CHRM2 (0.53) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL8108717 0.67 GBA1 (0.52) MAPTKDM4ENPC1CYP1A2CYP2D6
SCHEMBL9205719 0.67 GBA1 (0.52) MAPTKDM4ENPC1CYP1A2CYP2D6
SCHEMBL7919080 0.67 GBA1 (0.52) MAPTKDM4ENPC1CYP1A2CYP2D6
SCHEMBL6248843 0.67 GBA1 (0.52) MAPTKDM4ENPC1CYP1A2CYP2D6
SCHEMBL9025171 0.67 HTR2C (0.53) MAPT
SCHEMBL10881613 0.65 CHRM2 (0.53) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL12252660 0.64

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-120161191-A Marker composition for colorectal cancer detection and application thereof 上海百趣生物医学科技有限公司 2025-06-17 CN disclosed
CN-116183889-A Marker composition for colorectal cancer detection and application thereof 上海百趣生物医学科技有限公司 2023-05-30 CN disclosed