SCHEMBL28660495

SCHEMBL28660495

CC1Cc2ccccc2N1CC(=O)N1CCCC1.Cc1cc2ccccc2n1CC(=O)N1CCCC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.72
CHRM4 P08173 3/20 0.72
CHRM1 P11229 3/20 0.72
CHRM3 P20309 2/20 0.72
LMNA P02545 3/20 0.45
GRIN2B Q13224 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
THRB P10828 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL28652129 0.99 CHRM2 (0.71) CHRM2CHRM4CHRM1CHRM3LMNA
SCHEMBL29930211 0.85 CHRM2 (1.00) CHRM2CHRM4CHRM1CHRM3LMNA
SCHEMBL29930634 0.84 CHRM2 (0.97) CHRM2CHRM4CHRM1CHRM3LMNA
SCHEMBL29930196 0.84 GRIN2B (0.58) LMNAGRIN2BKMT2AMEN1CYP1A2
SCHEMBL29930246 0.82 GRIN2B (0.57) LMNAGRIN2BKMT2AMEN1THRB
SCHEMBL29930410 0.73 CHRM2 (1.00) CHRM2CHRM4CHRM1CHRM3LMNA
SCHEMBL28643449 0.73 CHRM2 (1.00) CHRM2CHRM4CHRM1CHRM3LMNA
SCHEMBL29930463 0.72 CHRM2 (1.00) CHRM2CHRM4CHRM1CHRM3LMNA
SCHEMBL3067363 0.66 L3MBTL1 (0.64) KMT2AMEN1THRBCYP1A2CYP3A4
SCHEMBL11673002 0.66 CHRM2 (0.63) CHRM2CHRM4CHRM1CHRM3LMNA

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-113527172-B M2 acetylcholine receptor antagonists and uses thereof 上海交通大学医学院附属仁济医院 2022-10-25 CN disclosed
CN-113527172-A M2 acetylcholine receptor antagonists and uses thereof 上海交通大学医学院附属仁济医院 2021-10-22 CN disclosed