SCHEMBL2820108

SCHEMBL2820108

COCCCn1c(C2CCCN(C(=O)C[C@H](N)Cc3ccc(-c4ccc(N)nc4)cc3)C2)c(C)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 2/20 0.44
CNR2 P34972 1/20 0.37
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
BTK Q06187 3/20 0.34
CPB1 P15086 1/20 0.34
DPP4 P27487 3/20 0.33
CFD P00746 1/20 0.33
CYP3A4 P08684 2/20 0.33
HTR4 Q13639 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
KCNH2 Q12809 1/20 0.33
TP53 P04637 1/20 0.32
PPIB P23284 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
PER2 O15055 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
SCHEMBL2813649 0.94 PROKR1 (0.44) PROKR1CNR2ALDH1A1TSHRKMT2A
SCHEMBL2791830 0.93 PROKR1 (0.42) PROKR1CNR2ALDH1A1TSHRKMT2A
SCHEMBL2816909 0.93 PROKR1 (0.42) PROKR1CNR2ALDH1A1TSHRKMT2A
SCHEMBL2818318 0.93 PROKR1 (0.42) PROKR1CNR2ALDH1A1TSHRKMT2A
SCHEMBL2788964 0.93 CNR2 (0.36) PROKR1CNR2ALDH1A1TSHRKMT2A
SCHEMBL2791698 0.93 PROKR1 (0.37) PROKR1CNR2ALDH1A1TSHRKMT2A
SCHEMBL2792314 0.92 PROKR1 (0.43) PROKR1CNR2ALDH1A1TSHRKMT2A
SCHEMBL2789639 0.92 PROKR1 (0.42) PROKR1CNR2ALDH1A1TSHRKMT2A
SCHEMBL2790226 0.89 PROKR1 (0.35) PROKR1ALDH1A1TSHRKMT2ABTK
SCHEMBL2790551 0.89 PROKR1 (0.35) PROKR1ALDH1A1TSHRKMT2ABTK

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 3 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
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed