SCHEMBL29132235

SCHEMBL29132235

C[C@H]1CN(C(=O)O)CCN1CCN1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.36
CHRM1 P11229 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
BIRC2 Q13490 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
CNR2 P34972 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
PHGDH O43175 1/20 0.32
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHRNB2 P17787 1/20 0.31

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
SCHEMBL29132190 0.80 ITGB3 (0.40) DRD3ITGB3ITGA2B
SCHEMBL23860123 0.79 DRD3 (0.34) DRD3CHRM1SIGMAR1POLBSMN1; SMN2
SCHEMBL28719987 0.78 CHRM1 (0.42) DRD3CHRM1MEN1KMT2AKDM4E
SCHEMBL17467697 0.78 DRD3 (0.40) DRD3CHRM1SIGMAR1
SCHEMBL13451573 0.78 DRD3 (0.40) DRD3CHRM1SIGMAR1
SCHEMBL28719989 0.78 CHRM1 (0.42) DRD3CHRM1MEN1KMT2AKDM4E
SCHEMBL23860101 0.77 DRD3 (0.33) DRD3CHRM1
SCHEMBL23860095 0.77 USP2 (0.42) CHRM1ALDH1A1CHRM3SMN1; SMN2
SCHEMBL26924284 0.77 CACNA2D1 (0.40) CHRM1ITGB3ITGA2B
SCHEMBL26924970 0.77 CACNA2D1 (0.40) CHRM1ITGB3ITGA2B

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
CN-117321046-A Indazole-based compounds and related methods of use 阿维纳斯企业公司 2023-12-29 CN disclosed