Sugi Predict

Sugi Predict / Compounds / SCHEMBL1074248

SCHEMBL1074248

SCHEMBL1074248

COC/C=C/c1ccc(C)c(CN(C(=O)OC(C)(C)C)C2CC2)c1.COCCCc1ccc(C)c(CN(C(=O)OC(C)(C)C)C2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 3/20 0.42
▸ REN P00797 15/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ KCNH2 Q12809 2/20 0.37
▸ KDM1A O60341 2/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL1074250 1.00 NR1H4 (0.42) NR1H4RENCYP3A4KCNH2KDM1A
SCHEMBL1518389 0.91 NR1H4 (0.43) NR1H4RENKCNH2KDM1AHDAC8
SCHEMBL1518392 0.91 NR1H4 (0.43) NR1H4RENKCNH2KDM1AHDAC8
SCHEMBL1518385 0.89 REN (0.47) RENCYP3A4KCNH2
SCHEMBL662475 0.84 REN (0.44) NR1H4RENCYP3A4KCNH2
SCHEMBL661553 0.78 REN (0.38) NR1H4RENCYP3A4KCNH2KDM1A
SCHEMBL1518899 0.77 NR1H4 (0.42) NR1H4KDM1AHDAC8HDAC6
SCHEMBL1072014 0.75 REN (0.46) RENCYP3A4KCNH2
SCHEMBL664806 0.74 HTR2A (0.37) NR1H4RENKDM1AHDAC8HDAC6
SCHEMBL1072582 0.74 REN (0.47) RENCYP3A4KCNH2

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-2274295-A1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2011-01-19 — — EP disclosed
WO-2009135299-A1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-11-12 — — WO disclosed