SCHEMBL2822368

SCHEMBL2822368

CC1(C)OB(c2ccc(CC(=O)NCCN3CCOCC3)cc2)OC1(C)C

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.67
▸ KMT2A Q03164 3/20 0.64
▸ LMNA P02545 2/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ HSD17B10 Q99714 3/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MEN1 O00255 1/20 0.43

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
SCHEMBL2822487 0.90 GAA (0.58) POLBKMT2ACYP2D6GAASMN1; SMN2
SCHEMBL14573266 0.84 CD274 (0.62) POLBCYP2D6
SCHEMBL2822427 0.78 KMT2A (1.00) POLBKMT2ALMNACYP2D6GAA
SCHEMBL586178 0.78 LPL (0.56) POLBKMT2A
SCHEMBL578532 0.77 MAPT (0.56) KMT2ASMN1; SMN2
SCHEMBL171459 0.77 GAA (0.44) KMT2ALMNAGAATSHRMEN1
Hydrochloric Acid SCHEMBL27248303 0.77 LPL (0.55) POLB
SCHEMBL426570 0.76 LPL (0.57) POLBKMT2A
SCHEMBL5200394 0.75 LMNA (0.46) POLBKMT2ALMNAMEN1
SCHEMBL146568 0.75 HRH3 (0.56) LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010069504-A1 (3-OXO)PYRIDIN-4-YLUREA DERIVATIVES AS PDE4 INHIBITORS ALMIRALL, S.A. (ES) 2010-06-24 — — WO disclosed
WO-2010069504-A1 (3-OXO)PYRIDIN-4-YLUREA DERIVATIVES AS PDE4 INHIBITORS ALMIRALL, S.A. (ES) 2010-06-24 — — WO disclosed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 — — EP disclosed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 — — EP disclosed
Send feedback