SCHEMBL20054322

SCHEMBL20054322

CC(C)(N)C(=O)NC(c1nc(-c2ccc(-c3ccc(-c4c[nH]c(C(NC(=O)C(C)(C)N)C(C)(C)C)n4)cc3)cc2)c[nH]1)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRCP P42785 6/20 0.34
GHSR Q92847 6/20 0.34
ATR Q13535 1/20 0.31
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
LMNA P02545 2/20 0.31
PKM P14618 1/20 0.31
OPRM1 P35372 1/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
ADORA1 P30542 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL15113728 1.00 PRCP (0.34) PRCPGHSRATRNPC1RAB9A
SCHEMBL19388606 0.90 GHSR (0.33) PRCPGHSR
SCHEMBL15116603 0.87 PDE2A (0.32) CNR1CNR2
SCHEMBL15114308 0.87 ADORA1 (0.32) ADORA1CNR1CNR2
SCHEMBL19388255 0.87 PDE2A (0.32) CNR1CNR2
SCHEMBL20465351 0.87 PRCP (0.31) PRCP
SCHEMBL20054451 0.87 ADORA1 (0.32) ADORA1CNR1CNR2
SCHEMBL20054327 0.86
SCHEMBL15113706 0.86
SCHEMBL20054238 0.86

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed