SCHEMBL2789223

SCHEMBL2789223

COCCCn1c(C2CCCN(C(=O)C[C@H](N)Cc3ccc(NC(=O)c4ccnn4C)cc3)C2)c(C)c2cccc(F)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
DPP4 P27487 6/20 0.32
CFD P00746 2/20 0.32
PROKR1 Q8TCW9 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2D6 P10635 2/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.31
CCR3 P51677 1/20 0.31
IL17A Q16552 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
GFER P55789 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
KCNH2 Q12809 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
SCHEMBL2789221 1.00 ALDH1A1 (0.33) ALDH1A1TSHRKMT2ADPP4CFD
SCHEMBL2788008 0.91 DPP4 (0.33) DPP4CFDPROKR1CYP2D6CCR3
SCHEMBL2788011 0.91 DPP4 (0.33) DPP4CFDPROKR1CYP2D6CCR3
SCHEMBL2819467 0.90 PROKR1 (0.40) ALDH1A1TSHRKMT2ADPP4PROKR1
SCHEMBL2789117 0.90 DPP4 (0.32) ALDH1A1TSHRKMT2ADPP4CFD
SCHEMBL2789119 0.90 DPP4 (0.32) ALDH1A1TSHRKMT2ADPP4CFD
SCHEMBL2792284 0.90 DPP4 (0.32) ALDH1A1TSHRKMT2ADPP4CFD
SCHEMBL2790088 0.90 DPP4 (0.32) ALDH1A1TSHRKMT2ADPP4CFD
SCHEMBL2791546 0.89 ALDH1A1 (0.36) ALDH1A1KMT2ADPP4CFDPROKR1
SCHEMBL2790241 0.89 ALDH1A1 (0.36) ALDH1A1KMT2ADPP4CFDPROKR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO claimed
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed