SCHEMBL2791998

SCHEMBL2791998

COCCCn1c(C2CCCN(C(=O)C[C@H](N)Cc3ccc(-c4ccnc(O)c4)cc3)C2)cc2c(F)cccc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.35
CFD P00746 2/20 0.35
DPP4 P27487 11/20 0.33
PDE2A O00408 1/20 0.33
PDE3A Q14432 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
BTK Q06187 1/20 0.32
PROKR1 Q8TCW9 1/20 0.32
MAPK1 P28482 2/20 0.32
DPP8 Q6V1X1 2/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 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
SCHEMBL2792440 0.92 CNR2 (0.36) CNR2CFDDPP4ALDH1A1TSHR
SCHEMBL740825 0.88 CFD (0.36) CFDDPP4ALDH1A1TSHRKMT2A
SCHEMBL740824 0.88 CFD (0.36) CFDDPP4ALDH1A1TSHRKMT2A
SCHEMBL2789341 0.88 CNR2 (0.37) CNR2CFDDPP4DPP7
SCHEMBL7898298 0.87 WNT3A (0.32) CNR2PDE2APDE3AMAPK1
SCHEMBL2790195 0.86 AKT1 (0.35) CNR2CFDDPP4
SCHEMBL2789519 0.85 CNR2 (0.36) CNR2CFDDPP4PDE2APDE3A
SCHEMBL2791483 0.84 CNR2 (0.33) CNR2CFDDPP4PDE3ADPP7
SCHEMBL2791310 0.84 CNR2 (0.36) CNR2CFDDPP4PDE2APDE3A
SCHEMBL741237 0.84 KCNH2 (0.42) PROKR1

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