SCHEMBL7902499

SCHEMBL7902499

COCCCn1c(C2CCCN(C(=O)C[C@H](N)Cc3ccc(-c4cc(C)c(O)c(C)c4)cc3)C2)cc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 8/20 0.37
CNR2 P34972 1/20 0.36
DPP4 P27487 1/20 0.34
DPP9 Q86TI2 1/20 0.34
BRD4 O60885 3/20 0.34
BTK Q06187 1/20 0.34
PADI4 Q9UM07 4/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
CFD P00746 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
SCHEMBL7901834 0.93 PROKR1 (0.39) PROKR1CNR2DPP4DPP9ALDH1A1
SCHEMBL7892716 0.92 PROKR1 (0.39) PROKR1CNR2DPP4DPP9ALDH1A1
SCHEMBL7894364 0.89 PROKR1 (0.36) PROKR1CNR2DPP4BTKPADI4
SCHEMBL2789838 0.89 PROKR1 (0.37) PROKR1CNR2DPP4DPP9ALDH1A1
SCHEMBL7898489 0.89 DPP4 (0.38) PROKR1CNR2DPP4DPP9CFD
SCHEMBL2792434 0.88 PROKR1 (0.40) PROKR1CNR2DPP4DPP9PADI4
SCHEMBL2790135 0.87 PROKR1 (0.40) PROKR1CNR2DPP4DPP9BTK
SCHEMBL7900932 0.87 PROKR1 (0.40) PROKR1CNR2DPP4DPP9BTK
SCHEMBL2790288 0.87 CNR2 (0.42) PROKR1CNR2DPP4DPP9PADI4
SCHEMBL7904628 0.87 PROKR1 (0.40) PROKR1CNR2DPP4DPP9BTK

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