SCHEMBL10901330

SCHEMBL10901330

CC(C)(C)N(C(=O)O)C1CCN(Cc2ccccc2)C1.CC(C)(C)OC(=O)NC1CCNC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ KCNA3 P22001 1/20 0.44
▸ CCR5 P51681 1/20 0.40
▸ MC4R P32245 1/20 0.40
▸ REN P00797 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ PARP2 Q9UGN5 1/20 0.39
▸ DRD2 P14416 3/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ NPFFR1 Q9GZQ6 1/20 0.39
▸ NPFFR2 Q9Y5X5 1/20 0.39
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ JAK2 O60674 1/20 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
SCHEMBL10367448 0.84 OPRM1 (0.49) KMT2AMEN1OPRM1CHRM4DRD2
SCHEMBL1307812 0.81 OPRM1 (0.55) OPRM1CHRM4DRD2BCHEACHE
SCHEMBL7549641 0.80 KCNA3 (0.59) KMT2AL3MBTL1KCNA3MEN1MCHR1
SCHEMBL10901335 0.78 OPRM1 (0.40) CCR5OPRM1CHRM4DRD2BCHE
SCHEMBL10367449 0.78 OPRM1 (0.47) KMT2AMEN1OPRM1CHRM4DRD2
SCHEMBL2241424 0.78 KMT2A (0.63) KMT2AL3MBTL1KCNA3MEN1MCHR1
SCHEMBL178929 0.78 KMT2A (0.63) KMT2AL3MBTL1KCNA3MEN1MCHR1
SCHEMBL2241423 0.78 KMT2A (0.63) KMT2AL3MBTL1KCNA3MEN1MCHR1
SCHEMBL31397617 0.76 KMT2A (0.56) KMT2AL3MBTL1KCNA3MEN1MCHR1
SCHEMBL555251 0.76 KMT2A (0.62) KMT2AL3MBTL1KCNA3MEN1MCHR1

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
US-4604401-A QUINOLINE-CARBOXYLIC ACIDS WARNER-LAMBERT COMPANY (US) 1986-08-05 — — US disclosed
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