SCHEMBL2791987

SCHEMBL2791987

O=C(O)N[C@@H](CC(=O)N1CCC[C@@H](c2cc3ccccc3n2CCCOC2CCCCO2)C1)Cc1ccc(Br)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 7/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
FPR2 P25090 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
P2RX3 P56373 6/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EP300 Q09472 1/20 0.31
CREBBP Q92793 1/20 0.31

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
SCHEMBL2817635 0.88 PROKR1 (0.39) PROKR1ITGB3ITGA2BFPR2KMT2A
SCHEMBL2791612 0.88 PROKR1 (0.39) PROKR1ITGB3ITGA2BFPR2KMT2A
SCHEMBL7901541 0.86 PADI4 (0.36) PROKR1ITGB3ITGA2BP2RX3
SCHEMBL7891183 0.82 PADI4 (0.40) PROKR1
SCHEMBL2790320 0.82 KDM4E (0.42) PROKR1ITGB3ITGA2BFPR2MEN1
SCHEMBL7900021 0.81 PROKR1 (0.34) PROKR1P2RX3
SCHEMBL2790813 0.78 PROKR1 (0.36) PROKR1ITGB3ITGA2BKMT2AALDH1A1
SCHEMBL2789237 0.78 CNR2 (0.37) ITGB3ITGA2BFPR2KMT2AALDH1A1
SCHEMBL7900016 0.78 PROKR1 (0.42) PROKR1MEN1KMT2A
SCHEMBL7900939 0.77 TP53 (0.37) PROKR1ITGB3ITGA2BMEN1KMT2A

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