SCHEMBL2817352

SCHEMBL2817352

CNc1ccc(-c2ccc(C[C@@H](N)CC(=O)N3CCCC(c4cc5ccccc5n4CCCOC)C3)cc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 14/20 0.45
CNR2 P34972 1/20 0.36
BTK Q06187 2/20 0.36
CFD P00746 1/20 0.34
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
JAK3 P52333 2/20 0.34

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
SCHEMBL7904628 0.91 PROKR1 (0.40) PROKR1CNR2BTKCFDJAK2
SCHEMBL2790135 0.91 PROKR1 (0.40) PROKR1CNR2BTKCFDJAK2
SCHEMBL7900932 0.91 PROKR1 (0.40) PROKR1CNR2BTKCFDJAK2
SCHEMBL7901834 0.88 PROKR1 (0.39) PROKR1CNR2CFD
SCHEMBL7902499 0.86 PROKR1 (0.37) PROKR1CNR2BTKCFD
SCHEMBL2792434 0.85 PROKR1 (0.40) PROKR1CNR2CFD
SCHEMBL7892716 0.85 PROKR1 (0.39) PROKR1CNR2CFD
SCHEMBL2788959 0.85 PROKR1 (0.37) PROKR1CNR2
SCHEMBL2789838 0.84 PROKR1 (0.37) PROKR1CNR2CFD
SCHEMBL2790288 0.84 CNR2 (0.42) PROKR1CNR2

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