SCHEMBL12101289

SCHEMBL12101289

COC1C[C@H](C(=O)Nc2ccc3c(c2)CCNC3)N(C(=O)Nc2ccc(Cl)cn2)C1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.53
▸ KLKB1 P03952 4/20 0.47
▸ SLC2A1 P11166 2/20 0.40
▸ BPTF Q12830 2/20 0.39
▸ CLK2 P49760 1/20 0.36
▸ CLK3 P49761 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ CFD P00746 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
SCHEMBL12101301 1.00 F10 (0.53) F10KLKB1SLC2A1BPTFCLK2
SCHEMBL12101325 0.89 F10 (0.51) F10KLKB1SLC2A1BPTFCFD
SCHEMBL12101320 0.86 F10 (0.54) F10KLKB1CLK2CLK3DYRK1A
SCHEMBL12101303 0.82 F10 (0.52) F10KLKB1CFD
SCHEMBL13104190 0.82 F10 (0.52) F10KLKB1CFD
SCHEMBL12101415 0.81 F10 (0.52) F10KLKB1CFD
SCHEMBL12101343 0.81 F10 (0.54) F10KLKB1CFD
SCHEMBL13104189 0.81 F10 (0.54) F10KLKB1CFD
SCHEMBL14434252 0.80 F10 (0.56) F10KLKB1SLC2A1CFD
SCHEMBL14434674 0.80 F10 (0.53) F10KLKB1SLC2A1CFD

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
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