SCHEMBL25566530

SCHEMBL25566530

CCCC12CCC(CNC1)N2C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
SPHK1 Q9NYA1 1/20 0.33
KDM1A O60341 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
NR1H2 P55055 1/20 0.30

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
SCHEMBL25566505 0.90 CHRM2 (0.38) CHRM2CHRM1CHRM3KDM1ADDB1
SCHEMBL30977192 0.90 CHRM2 (0.39) CHRM2CHRM1CHRM3SPHK1KDM1A
SCHEMBL30977195 0.90 CHRM2 (0.39) CHRM2CHRM1CHRM3SPHK1KDM1A
SCHEMBL25257754 0.90 CHRM2 (0.39) CHRM2CHRM1CHRM3SPHK1KDM1A
SCHEMBL25242987 0.88 CHRM2 (0.36) CHRM2CHRM1CHRM3KDM1ADDB1
SCHEMBL31712392 0.87 CHRM2 (0.38) CHRM2CHRM1CHRM3SPHK1DDB1
SCHEMBL30998687 0.87 CHRM2 (0.39) CHRM2CHRM1CHRM3SPHK1KDM1A
SCHEMBL25216428 0.86 CHRM2 (0.38) CHRM2CHRM1CHRM3KDM1ADDB1
SCHEMBL26366228 0.86 CHRM2 (0.38) CHRM2CHRM1CHRM3KDM1ADDB1
SCHEMBL30067317 0.85 MEN1 (0.35) CHRM2CHRM1CHRM3SPHK1

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
EP-4442686-A1 KRAS INHIBITORS, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF Abbisko Therapeutics Co., Ltd (CN) 2024-10-09 EP disclosed
WO-2023098425-A1 KRAS INHIBITORS, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 上海和誉生物医药科技有限公司 2023-06-08 WO disclosed