SCHEMBL25155307

SCHEMBL25155307

Cc1ccc(OCC2CCCCN2C(=O)OC(C)(C)C)cc1C(=O)NC1(c2cccc3ccccc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.38
▸ NR1D1 P20393 4/20 0.38
▸ ALOX5AP P20292 3/20 0.38
▸ PRMT5 O14744 1/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ GPR119 Q8TDV5 2/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ CHEK2 O96017 1/20 0.36
▸ IL1B P01584 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35

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
SCHEMBL30344795 1.00 KDM1A (0.44) KDM1AHDAC8NR1D1ALOX5APPRMT5
SCHEMBL25156235 0.98 KDM1A (0.41) KDM1AHDAC8NR1D1ALOX5APGPR119
SCHEMBL30343995 0.98 KDM1A (0.41) KDM1AHDAC8NR1D1ALOX5APGPR119
SCHEMBL25156047 0.95 HDAC8 (0.40) KDM1AHDAC8NR1D1IL1BP2RX7
SCHEMBL31360320 0.95 HDAC8 (0.40) KDM1AHDAC8NR1D1IL1BP2RX7
SCHEMBL30344427 0.95 HDAC8 (0.40) KDM1AHDAC8NR1D1IL1BP2RX7
SCHEMBL25156101 0.95 HDAC8 (0.40) KDM1AHDAC8NR1D1IL1BP2RX7
SCHEMBL25155126 0.95 HDAC8 (0.40) KDM1AHDAC8NR1D1IL1BP2RX7
SCHEMBL31360021 0.95 HDAC8 (0.40) KDM1AHDAC8NR1D1IL1BP2RX7
SCHEMBL31360159 0.89 F2RL3 (0.39) KDM1AHDAC8NR1D1ALOX5APGPR119

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
WO-2023064493-A1 COMPOUNDS AND METHODS FOR TREATING CORONAVIRUSES Clear Creek Bio, Inc. (US) 2023-04-20 — — WO disclosed
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