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Sugi Predict / Compounds / SCHEMBL7904628

SCHEMBL7904628

SCHEMBL7904628

COCCCn1c([C@H]2CCCN(C(=O)C[C@H](N)Cc3ccc(-c4ccc(N)nc4)cc3)C2)cc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PROKR1 Q8TCW9 12/20 0.40
▸ CNR2 P34972 1/20 0.36
▸ BTK Q06187 2/20 0.35
▸ CFD P00746 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ CPB1 P15086 1/20 0.34
▸ DPP4 P27487 2/20 0.34
▸ DPP9 Q86TI2 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
SCHEMBL2790135 1.00 PROKR1 (0.40) PROKR1CNR2BTKCFDJAK2
SCHEMBL7900932 1.00 PROKR1 (0.40) PROKR1CNR2BTKCFDJAK2
SCHEMBL7891283 0.92 DPP4 (0.35) PROKR1BTKCFDJAK2JAK1
SCHEMBL2813997 0.92 PROKR1 (0.38) PROKR1BTKCFDDPP4
SCHEMBL2791457 0.92 PROKR1 (0.40) PROKR1CNR2JAK2JAK1JAK3
SCHEMBL2817352 0.91 PROKR1 (0.45) PROKR1CNR2BTKCFDJAK2
SCHEMBL7900019 0.91 PROKR1 (0.39) PROKR1BTKDPP4DPP9
SCHEMBL2792291 0.90 DPP4 (0.33) PROKR1CNR2BTKCFDJAK2
SCHEMBL2792294 0.90 DPP4 (0.33) PROKR1CNR2BTKCFDJAK2
SCHEMBL2791393 0.90 BTK (0.36) PROKR1CNR2BTKCFDCPB1

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