SCHEMBL2792287

SCHEMBL2792287

COCCCn1c(C2CCCN(C(=O)C[C@H](N)Cc3ccc(NC(=O)c4ccccc4)cc3)C2)c(C)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 2/20 0.42
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
DPP4 P27487 5/20 0.35
RORC P51449 1/20 0.35
PER2 O15055 1/20 0.34
CRY1 Q16526 1/20 0.34
CRY2 Q49AN0 1/20 0.34
CCR5 P51681 2/20 0.34
HTR4 Q13639 2/20 0.34
GAA P10253 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
CYP3A4 P08684 1/20 0.33
KCNH2 Q12809 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL2790078 0.95 PROKR1 (0.43) PROKR1CNR2ALDH1A1KMT2ADPP4
SCHEMBL2790692 0.94 PROKR1 (0.42) PROKR1CNR2ALDH1A1KMT2ADPP4
SCHEMBL2790206 0.94 PROKR1 (0.42) PROKR1CNR2ALDH1A1KMT2ADPP4
SCHEMBL2790512 0.93 PROKR1 (0.42) PROKR1CNR2ALDH1A1KMT2ADPP4
SCHEMBL2792324 0.93 PROKR1 (0.42) PROKR1CNR2ALDH1A1KMT2ADPP4
SCHEMBL2791375 0.92 PROKR1 (0.39) PROKR1CNR2ALDH1A1KMT2ADPP4
SCHEMBL2818273 0.92 PROKR1 (0.43) PROKR1CNR2ALDH1A1KMT2ADPP4
SCHEMBL2791390 0.92 PROKR1 (0.43) PROKR1CNR2ALDH1A1KMT2APER2
SCHEMBL2789033 0.92 PROKR1 (0.42) PROKR1CNR2ALDH1A1KMT2ADPP4
SCHEMBL2790836 0.92 PROKR1 (0.42) PROKR1CNR2ALDH1A1KMT2ADPP4

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