SCHEMBL29795241

SCHEMBL29795241

O=C(OCOC1CCC(c2ccccc2OS(=O)(=O)C(F)(F)F)CC1)N1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.49
DRD1 P21728 5/20 0.49
DRD4 P21917 5/20 0.49
DRD5 P21918 5/20 0.49
DRD3 P35462 5/20 0.49
HCRTR2 O43614 12/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL29795303 0.81 HCRTR2 (0.48) HCRTR2MEN1KMT2A
SCHEMBL29795298 0.80 HTR1A (0.48) HCRTR2PTGDR2MEN1KMT2A
SCHEMBL6606604 0.79 SMN1; SMN2 (0.54) DRD2DRD1DRD4DRD5DRD3
SCHEMBL29860512 0.78 ADAM10 (0.47) HCRTR2
SCHEMBL29860760 0.78 ADAM10 (0.47) HCRTR2
SCHEMBL29666678 0.77 HCRTR2 (0.57) DRD2DRD1DRD4DRD5DRD3
SCHEMBL29795231 0.77 BRD4 (0.36) HCRTR2MEN1KMT2A
SCHEMBL30725986 0.77 ADAM10 (0.48) HCRTR2
SCHEMBL22444937 0.76 DRD2 (0.60) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9956909 0.75 DRD2 (0.62) DRD2DRD1DRD4DRD5DRD3

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-114761412-A Substituted macrocyclic compounds and related methods of treatment 阿尔克姆斯有限公司 2022-07-15 CN disclosed