SCHEMBL2818318

SCHEMBL2818318

COCCCn1c([C@H]2CCCN(C(=O)C[C@H](N)Cc3ccc(-c4ccc(O)nc4)cc3)C2)c(C)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 2/20 0.42
CNR2 P34972 1/20 0.37
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
DPP4 P27487 3/20 0.33
CYP3A4 P08684 2/20 0.33
BTK Q06187 2/20 0.33
HTR4 Q13639 2/20 0.33
KCNH2 Q12809 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
CFD P00746 1/20 0.32
PTGER4 P35408 2/20 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
SCHEMBL2816909 1.00 PROKR1 (0.42) PROKR1CNR2ALDH1A1TSHRKMT2A
SCHEMBL2791830 1.00 PROKR1 (0.42) PROKR1CNR2ALDH1A1TSHRKMT2A
SCHEMBL2792314 0.94 PROKR1 (0.43) PROKR1CNR2ALDH1A1TSHRKMT2A
SCHEMBL2820108 0.93 PROKR1 (0.44) PROKR1CNR2ALDH1A1TSHRKMT2A
SCHEMBL2813649 0.92 PROKR1 (0.44) PROKR1CNR2ALDH1A1TSHRKMT2A
SCHEMBL2789639 0.92 PROKR1 (0.42) PROKR1CNR2ALDH1A1TSHRKMT2A
SCHEMBL2790575 0.91 DPP4 (0.37) PROKR1CNR2ALDH1A1TSHRKMT2A
SCHEMBL2789351 0.89 CFD (0.33) PROKR1ALDH1A1TSHRKMT2ADPP4
SCHEMBL2788438 0.89 CFD (0.33) PROKR1ALDH1A1TSHRKMT2ADPP4
SCHEMBL2792469 0.89 CFD (0.33) PROKR1ALDH1A1TSHRKMT2ADPP4

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