SCHEMBL29930613

SCHEMBL29930613

O=C(CN1CCCc2cnccc21)N1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 11/20 1.00
▸ CHRM3 P20309 10/20 1.00
▸ CHRM4 P08173 9/20 1.00
▸ CHRM1 P11229 8/20 0.97
▸ ALDH1A1 P00352 4/20 0.49
▸ MAPT P10636 3/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ALOX15 P16050 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ GAA P10253 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL28646672 1.00 CHRM2 (1.00) CHRM2CHRM3CHRM4CHRM1ALDH1A1
SCHEMBL28647927 0.99 CHRM2 (1.00) CHRM2CHRM3CHRM4CHRM1ALDH1A1
SCHEMBL28643422 0.81 CHRM2 (1.00) CHRM2CHRM3CHRM4CHRM1ALDH1A1
SCHEMBL29930254 0.81 CHRM2 (1.00) CHRM2CHRM3CHRM4CHRM1ALDH1A1
SCHEMBL28643439 0.79 CHRM2 (1.00) CHRM2CHRM3CHRM4CHRM1ALDH1A1
SCHEMBL29930459 0.79 CHRM2 (1.00) CHRM2CHRM3CHRM4CHRM1ALDH1A1
SCHEMBL29930736 0.78 CHRM2 (0.80) CHRM2CHRM3CHRM4CHRM1ALDH1A1
SCHEMBL29930663 0.76 CHRM2 (1.00) CHRM2CHRM3CHRM4CHRM1ALDH1A1
SCHEMBL13180255 0.74 CHRM2 (0.59) CHRM2CHRM3CHRM4CHRM1ALDH1A1
SCHEMBL25937596 0.71 CHRM2 (0.56) CHRM2CHRM3CHRM4CHRM1ALDH1A1

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-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
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