SCHEMBL28249789

SCHEMBL28249789

CC(C)(C)OC(=O)NC(C)(C(=O)NC1CCN(Cc2ccccc2)C1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 10/20 0.51
▸ DRD2 P14416 7/20 0.51
▸ MCHR1 Q99705 1/20 0.51
▸ CHRM2 P08172 3/20 0.50
▸ CHRM1 P11229 3/20 0.50
▸ CHRM3 P20309 3/20 0.50
▸ KMT2A Q03164 2/20 0.49
▸ KCNA3 P22001 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ CCR2 P41597 1/20 0.47
▸ BACE1 P56817 1/20 0.47

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
SCHEMBL2241423 0.86 KMT2A (0.63) DRD4DRD2MCHR1KMT2AKCNA3
SCHEMBL178929 0.86 KMT2A (0.63) DRD4DRD2MCHR1KMT2AKCNA3
SCHEMBL2241424 0.86 KMT2A (0.63) DRD4DRD2MCHR1KMT2AKCNA3
SCHEMBL1412221 0.82 KMT2A (0.58) DRD4DRD2MCHR1KMT2AKCNA3
SCHEMBL1412219 0.82 KMT2A (0.58) DRD4DRD2MCHR1KMT2AKCNA3
SCHEMBL17610296 0.81 KMT2A (0.53) DRD4DRD2MCHR1KMT2AKCNA3
SCHEMBL1412348 0.81 KMT2A (0.56) DRD4DRD2MCHR1KMT2AKCNA3
SCHEMBL5449145 0.81 CCR2 (0.60) DRD4DRD2MCHR1KMT2AL3MBTL1
SCHEMBL5449143 0.81 CCR2 (0.60) DRD4DRD2MCHR1KMT2AL3MBTL1
SCHEMBL17269909 0.80 DRD2 (0.64) DRD4DRD2MCHR1KMT2AKCNA3

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-108602823-A As deubiquitinating enzymes(DUB)The spiral shell of inhibitor-condensation pyrrolidin derivatives 特殊治疗有限公司 2018-09-28 — — CN disclosed
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