SCHEMBL28995685

SCHEMBL28995685

COCC1CCCN1C(=O)On1ccc(C(C)(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAT P00750 1/20 0.40
ADORA2A P29274 5/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
CNR2 P34972 1/20 0.37
ENPP2 Q13822 1/20 0.37
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 1/20 0.36
POLB P06746 2/20 0.36
ABHD6 Q9BV23 2/20 0.36
DAGLA Q9Y4D2 2/20 0.36
PDE7B Q9NP56 1/20 0.35
CRHR1 P34998 1/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL28995960 0.74 SMN1; SMN2 (0.44) POLBRAB9ANPC1
SCHEMBL3512019 0.71 HSD17B10 (0.47) NPC1
SCHEMBL3512016 0.71 HSD17B10 (0.47) NPC1
SCHEMBL792043 0.71 HSD17B10 (0.47) NPC1
SCHEMBL792002 0.70 HDAC8 (0.44) PLATADORA2AROCK2ROCK1CNR2
SCHEMBL15317694 0.69 POLB (0.54) ADORA2AHDAC8HDAC6HDAC1POLB
SCHEMBL26704171 0.69 DPP4 (0.40) PLATROCK2ROCK1CNR2HDAC8
SCHEMBL24348072 0.68 RAB9A (0.41) PLATROCK2ROCK1CNR2HDAC8
SCHEMBL25218793 0.68 POLB (0.41) PLATADORA2AROCK2ROCK1CNR2
SCHEMBL10223232 0.68 RIPK1 (0.44) ADORA2AROCK2ROCK1CNR2HDAC8

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-116057045-A Fibroblast growth factor receptor kinase inhibitors 金耐特生物制药公司 2023-05-02 CN disclosed