SCHEMBL78468

SCHEMBL78468

COCCCN1C(=O)COc2ccc(C(C)C)cc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.54
TSHR P16473 3/20 0.53
KDM4E B2RXH2 1/20 0.46
POLB P06746 6/20 0.45
TP53 P04637 2/20 0.45
MAPT P10636 3/20 0.44
THRB P10828 2/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
MCHR1 Q99705 1/20 0.44
HSD17B10 Q99714 1/20 0.43
KMO O15229 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL3065833 0.91 TSHR (0.54) RENTSHRKDM4EPOLBTP53
SCHEMBL1047741 0.84 REN (0.57) RENTSHRKDM4EPOLBTP53
SCHEMBL89401 0.84 TSHR (0.71) RENTSHRPOLBTP53MAPT
SCHEMBL55503 0.83 REN (0.61) RENTSHRKDM4EPOLBTP53
SCHEMBL13341037 0.83 TSHR (0.43) RENTSHRKDM4EPOLBDRD2
SCHEMBL6508989 0.83 REN (0.56) RENTSHRKDM4EPOLBTP53
SCHEMBL6721804 0.83 REN (0.56) RENTSHRKDM4EPOLBTP53
SCHEMBL927855 0.82 REN (0.55) RENTSHRKDM4EPOLBTP53
SCHEMBL3065160 0.82 REN (0.55) RENTSHRKDM4EPOLBTP53
SCHEMBL1015445 0.81 TSHR (0.56) RENTSHRKDM4EPOLBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed