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SCHEMBL19488659

SCHEMBL19488659

CCC(=O)NC(C(=O)N1CCC[C@H]1C(=O)Nc1cc(-c2ncc(-c3ccc4nc([C@@H]5CCCN5C(=O)[C@@H](c5ccccc5)N(C)C)[nH]c4c3)o2)ccc1C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 2/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ ELANE P08246 1/20 0.37
▸ NR1I2 O75469 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
SCHEMBL12374149 0.93 NR1I2 (0.44) KCNH2NR1I2
SCHEMBL19388578 0.93 NR1I2 (0.44) KCNH2NR1I2
SCHEMBL2276860 0.92 HCRTR1 (0.39) PRCPKCNH2
SCHEMBL2276865 0.92 HCRTR1 (0.39) PRCPKCNH2
SCHEMBL3058434 0.89 NR1I2 (0.44) KCNH2NR1I2
SCHEMBL12374148 0.89 KCNH2 (0.48) PRCPKCNH2NR1I2
SCHEMBL19488900 0.89 KCNH2 (0.48) PRCPKCNH2NR1I2
SCHEMBL13221712 0.89 HCRTR1 (0.37) PRCPKCNH2
SCHEMBL12374143 0.89 PRCP (0.38) PRCPKCNH2
SCHEMBL12374145 0.88 KCNH2 (0.45) KCNH2

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
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 — — EP disclosed