SCHEMBL12101413

SCHEMBL12101413

Bc1ccc(NC(=O)N2CC(OC)C[C@@H]2C(=O)Nc2ccc3c(c2)CCN(C)C3)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.43
CFD P00746 2/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
TSHR P16473 1/20 0.38
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
DYRK1A Q13627 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KLKB1 P03952 1/20 0.36
ROCK2 O75116 2/20 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
SCHEMBL13104199 0.92 F10 (0.47) F10CFDNPC1RAB9ACYP2C9
SCHEMBL12101351 0.92 F10 (0.47) F10CFDNPC1RAB9ACYP2C9
SCHEMBL8222128 0.91 F10 (0.43) F10CFDHCRTR1HCRTR2TSHR
SCHEMBL13104224 0.91 F10 (0.46) F10CFDHCRTR1HCRTR2NPC1
SCHEMBL8224896 0.91 F10 (0.46) F10CFDHCRTR1HCRTR2NPC1
SCHEMBL12101291 0.91 F10 (0.52) F10CFDHCRTR1HCRTR2TSHR
SCHEMBL12101392 0.91 F10 (0.43) F10CFDHCRTR1HCRTR2TSHR
SCHEMBL12892314 0.91 F10 (0.43) F10CFDHCRTR1HCRTR2TSHR
SCHEMBL13104152 0.91 F10 (0.52) F10CFDHCRTR1HCRTR2TSHR
SCHEMBL12101321 0.90 F10 (0.44) F10CFDHCRTR1HCRTR2TSHR

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-2051975-B1 SUBSTITUTED PROLINAMIDES, PRODUCTION THEREOF AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INT (DE) 2012-09-12 EP disclosed