SCHEMBL2789452

SCHEMBL2789452

COCCCn1c(C2CCCN(C(=O)C[C@@H](Cc3ccc(N)cc3)NC(=O)O)C2)c(C)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 2/20 0.45
CNR2 P34972 2/20 0.39
HTR4 Q13639 3/20 0.37
CYP3A4 P08684 1/20 0.36
KCNH2 Q12809 1/20 0.36
PER2 O15055 1/20 0.36
CRY1 Q16526 1/20 0.36
CRY2 Q49AN0 1/20 0.36
PPIB P23284 1/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
ALDH1A1 P00352 3/20 0.34
REN P00797 2/20 0.34
TSHR P16473 2/20 0.34
KMT2A Q03164 1/20 0.34
CREBBP Q92793 1/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL2790497 1.00 PROKR1 (0.45) PROKR1CNR2HTR4CYP3A4KCNH2
SCHEMBL2789222 0.93 PROKR1 (0.41) PROKR1CNR2HTR4CYP3A4KCNH2
SCHEMBL7891211 0.92 PROKR1 (0.42) PROKR1CNR2HTR4CYP3A4KCNH2
SCHEMBL2819819 0.90 PROKR1 (0.41) PROKR1CNR2ALDH1A1TSHRKMT2A
SCHEMBL2877866 0.89 PROKR1 (0.40) PROKR1CNR2HTR4CYP3A4KCNH2
SCHEMBL2789132 0.88 PROKR1 (0.38) PROKR1CNR2HTR4CYP3A4KCNH2
SCHEMBL2788887 0.88 PROKR1 (0.39) PROKR1CNR2HTR4CYP3A4KCNH2
SCHEMBL7899697 0.85 PROKR1 (0.39) PROKR1CNR2HTR4CYP3A4KCNH2
SCHEMBL2790078 0.84 PROKR1 (0.43) PROKR1CNR2HTR4CYP3A4KCNH2
SCHEMBL739892 0.83 HRH1 (0.43) PROKR1CYP3A4KCNH2

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