SCHEMBL2789639

SCHEMBL2789639

COCCCn1c(C2CCCN(C(=O)C[C@H](N)Cc3ccc(-c4cnc(OC)nc4)cc3)C2)c(C)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 2/20 0.42
CNR2 P34972 1/20 0.37
SCN9A Q15858 3/20 0.36
HTR4 Q13639 3/20 0.34
CYP3A4 P08684 2/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
DPP4 P27487 3/20 0.33
CFD P00746 1/20 0.33
BTK Q06187 2/20 0.33
GRIN2B Q13224 1/20 0.33
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
PER2 O15055 1/20 0.32
CRY1 Q16526 1/20 0.32
CRY2 Q49AN0 1/20 0.32

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
SCHEMBL2792314 0.94 PROKR1 (0.43) PROKR1CNR2HTR4CYP3A4KCNH2
SCHEMBL2813649 0.94 PROKR1 (0.44) PROKR1CNR2HTR4CYP3A4KCNH2
SCHEMBL2791979 0.94 PROKR1 (0.43) PROKR1SCN9AKMT2ADPP4CFD
SCHEMBL2791830 0.92 PROKR1 (0.42) PROKR1CNR2HTR4CYP3A4KCNH2
SCHEMBL2818318 0.92 PROKR1 (0.42) PROKR1CNR2HTR4CYP3A4KCNH2
SCHEMBL2816909 0.92 PROKR1 (0.42) PROKR1CNR2HTR4CYP3A4KCNH2
SCHEMBL2820108 0.92 PROKR1 (0.44) PROKR1CNR2HTR4CYP3A4KCNH2
SCHEMBL2788887 0.90 PROKR1 (0.39) PROKR1CNR2SCN9AHTR4CYP3A4
SCHEMBL2789066 0.89 SCN9A (0.35) PROKR1SCN9AALDH1A1TSHRKMT2A
SCHEMBL7901828 0.87 PROKR1 (0.37) PROKR1CNR2SCN9AHTR4CYP3A4

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