SCHEMBL30716259

SCHEMBL30716259

CCCCOC(=O)N1CC[C@H](CN)[C@@H](O)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
GBA2 Q9HCG7 1/20 0.41
GAA P10253 1/20 0.40
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CHRM1 P11229 2/20 0.35
CHRM2 P08172 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
PDE4B Q07343 1/20 0.35
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL6119560 0.83 SMN1; SMN2 (0.50) SMN1; SMN2LMNAPOLBGBA2GAA
SCHEMBL3392894 0.82 SMN1; SMN2 (0.49) SMN1; SMN2LMNAPOLBGBA2GAA
SCHEMBL17801630 0.82 SMN1; SMN2 (0.49) SMN1; SMN2LMNAPOLBGBA2GAA
SCHEMBL29838376 0.82 SMN1; SMN2 (0.49) SMN1; SMN2LMNAPOLBGBA2GAA
SCHEMBL31372353 0.82 SMN1; SMN2 (0.49) SMN1; SMN2LMNAPOLBGBA2GAA
SCHEMBL3708900 0.81 LMNA (0.54) SMN1; SMN2LMNAPOLBGBA2GAA
SCHEMBL3652388 0.81 LMNA (0.54) SMN1; SMN2LMNAPOLBGBA2GAA
SCHEMBL3652385 0.81 LMNA (0.54) SMN1; SMN2LMNAPOLBGBA2GAA
SCHEMBL25350252 0.81 LMNA (0.48) SMN1; SMN2LMNAPOLBGBA2GAA
SCHEMBL18498621 0.80 LMNA (0.56) SMN1; SMN2LMNAPOLBGBA2HPGD

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
WO-2024175024-A1 NEW FUSED HETEROCYCLIC COMPOUND AS CDKS INHIBITOR AND USE THEREOF 杭州德睿智药科技有限公司 2024-08-29 WO disclosed
WO-2023227125-A1 NEW FUSED-HETEROCYCLIC COMPOUND AS CDK INHIBITOR AND USE THEREOF 杭州德睿智药科技有限公司 2023-11-30 WO disclosed