SCHEMBL28833909

SCHEMBL28833909

O=C[C@H]1CCN1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.34
CHRM3 P20309 6/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
CHRM2 P08172 4/20 0.33
CHRM1 P11229 4/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 2/20 0.33
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP2D6 P10635 3/20 0.32
KCNH2 Q12809 2/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
HRH1 P35367 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 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
SCHEMBL20595800 1.00 KCNA3 (0.34) KCNA3CHRM3ALDH1A1GAACHRM2
SCHEMBL20595723 1.00 KCNA3 (0.34) KCNA3CHRM3ALDH1A1GAACHRM2
SCHEMBL15412693 0.90 ATM (0.36) LMNA
SCHEMBL15412695 0.90 ATM (0.36) LMNA
SCHEMBL15412932 0.90 ATM (0.36) LMNA
SCHEMBL17923226 0.88 CHRM2 (0.38) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL17941193 0.88 CHRM2 (0.38) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL17923217 0.88 CHRM2 (0.38) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL30899499 0.87 CHRM2 (0.40) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL23298053 0.81 CYP11B1 (0.32) CHRM3ALDH1A1CHRM2CHRM1LMNA

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
CN-115873020-B RAS inhibitors 锐新医药公司 2025-06-13 CN disclosed
CN-117500811-A Covalent RAS inhibitors and uses thereof 锐新医药公司 2024-02-02 CN disclosed
CN-114980976-A Covalent RAS inhibitors and uses thereof 锐新医药公司 2022-08-30 CN disclosed