SCHEMBL8230607

SCHEMBL8230607

C#Cc1ccc(NC(=O)N2CC(OC)C[C@@H]2C(=O)Nc2ccc3c(c2)CCN(C)C3)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.41
KLKB1 P03952 1/20 0.38
ROCK2 O75116 3/20 0.38
CFD P00746 2/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
TSHR P16473 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
DYRK1A Q13627 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL12101335 1.00 F10 (0.41) F10KLKB1ROCK2CFDHCRTR1
SCHEMBL12101351 0.89 F10 (0.47) F10ROCK2CFDNPC1RAB9A
SCHEMBL13104199 0.89 F10 (0.47) F10ROCK2CFDNPC1RAB9A
SCHEMBL8222128 0.89 F10 (0.43) F10CFDHCRTR1HCRTR2TSHR
SCHEMBL12101291 0.89 F10 (0.52) F10KLKB1CFDHCRTR1HCRTR2
SCHEMBL12892314 0.89 F10 (0.43) F10CFDHCRTR1HCRTR2TSHR
SCHEMBL12101392 0.89 F10 (0.43) F10CFDHCRTR1HCRTR2TSHR
SCHEMBL12101413 0.89 F10 (0.43) F10KLKB1ROCK2CFDHCRTR1
SCHEMBL13104152 0.89 F10 (0.52) F10KLKB1CFDHCRTR1HCRTR2
SCHEMBL13104224 0.89 F10 (0.46) F10KLKB1CFDHCRTR1HCRTR2

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-2007131982-A2 SUBSTITUTED PROLINAMIDES, PRODUCTION THEREOF AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-22 WO disclosed