SCHEMBL4596597

SCHEMBL4596597

N#Cc1ccc(-c2ccc3c(c2)CCC(=O)N3)cc1.O=C1COc2cc(-c3ccc4c(c3)OC(F)(F)O4)ccc2N1.O=C1Nc2ccc(-c3ccc(C(F)(F)F)cc3)cc2CC1CO

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 6/20 0.44
▸ CTSC P53634 3/20 0.36
▸ AKT1 P31749 1/20 0.34
▸ MMP8 P22894 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ OPRK1 P41145 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ DRD2 P14416 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ DPP4 P27487 1/20 0.31

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
SCHEMBL4596456 0.79 NR3C2 (0.40) KIF11CTSCPDE3BPDE3ACYP11B1
SCHEMBL4891219 0.74 KIF11 (0.56) KIF11AKT1OPRK1DRD3PDE3B
SCHEMBL4890586 0.71 KIF11 (0.58) KIF11PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL4897471 0.70 CYP11B1 (0.56) KIF11PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL4596430 0.70 KIF11 (0.59) KIF11OPRK1TRPV1PDE3BPDE3A
SCHEMBL3467252 0.68 KIF11 (0.53) KIF11AKT1PDE3BPDE3A
SCHEMBL3306017 0.68 KIF11 (0.62) KIF11CTSCPDE3BPDE3ACYP11B1
SCHEMBL1396616 0.67 KIF11 (1.00) KIF11AKT1PDE3BPDE3ACYP11B1
SCHEMBL4891714 0.65 KIF11 (0.49) KIF11PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL3308412 0.65 KIF11 (0.53) KIF11AKT1RORCPDE3BPDE3A

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-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 — — EP disclosed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 — — WO disclosed
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