SCHEMBL29073129

SCHEMBL29073129

S=C(C1(c2ccccc2)CC1c1ccccc1)C1(c2ccccc2)CC1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.51
KDM1A O60341 18/20 0.48
MAOB P27338 16/20 0.48
MAOA P21397 15/20 0.48
RCOR1 Q9UKL0 2/20 0.38

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
SCHEMBL15754675 0.81 CHRM1 (0.59) CHRM1KDM1AMAOBMAOA
SCHEMBL7549278 0.81 CHRM1 (0.59) CHRM1KDM1AMAOBMAOA
SCHEMBL6628664 0.78 CHRM1 (0.56) CHRM1KDM1AMAOBMAOA
SCHEMBL12497902 0.75 CHRM1 (0.54) CHRM1KDM1AMAOBMAOA
SCHEMBL15754696 0.74 CHRM1 (0.56) CHRM1
SCHEMBL15754695 0.74 CHRM1 (0.56) CHRM1
SCHEMBL15778208 0.70 MAPT (0.46) CHRM1
SCHEMBL15778209 0.70 MAPT (0.46) CHRM1
SCHEMBL9900281 0.69 KDM1A (0.48) CHRM1KDM1AMAOBMAOARCOR1
SCHEMBL5998298 0.69 KDM1A (0.57) KDM1AMAOBMAOARCOR1

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-113214249-B Synthesis method of pyrido [1,2-a ] pyrimidine-4-thioketone compound 成都大学 2023-09-19 CN disclosed