Sugi Predict

Sugi Predict / Compounds / SCHEMBL7897490

SCHEMBL7897490

SCHEMBL7897490

COCCCn1c(C2CCCN(C(=O)C[C@@H](Cc3ccc(-c4ccc(C(=O)N5CC(O)C5)cc4)cc3)NC(=O)OC(C)(C)C)C2)cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PADI4 Q9UM07 4/20 0.41
▸ PROKR1 Q8TCW9 8/20 0.38
▸ CNR2 P34972 2/20 0.38
▸ HRH2 P25021 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ KLK5 Q9Y337 1/20 0.35
▸ NPC1L1 Q9UHC9 2/20 0.34
▸ PTGER4 P35408 1/20 0.33
▸ TLR2 O60603 1/20 0.33
▸ TLR1 Q15399 1/20 0.33

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
SCHEMBL2790219 0.92 PADI4 (0.41) PADI4PROKR1CNR2HRH2HRH1
SCHEMBL2791389 0.92 CNR2 (0.40) PADI4PROKR1CNR2PTGER4
SCHEMBL7891183 0.88 PADI4 (0.40) PADI4PROKR1CNR2HRH2HRH1
SCHEMBL2790288 0.86 CNR2 (0.42) PADI4PROKR1CNR2PTGER4
SCHEMBL7897738 0.84 PADI4 (0.37) PADI4PROKR1CNR2HRH2HRH1
SCHEMBL739548 0.81 HRH1 (0.41) PADI4HRH2HRH1KLK5PTGER4
SCHEMBL739119 0.81 HRH1 (0.39) HRH2HRH1
SCHEMBL739547 0.81 HRH1 (0.41) PADI4HRH2HRH1KLK5PTGER4
SCHEMBL739120 0.81 HRH1 (0.39) HRH2HRH1
SCHEMBL763858 0.81 KCNH2 (0.42) HRH2HRH1KLK5

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
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 — — WO disclosed