SCHEMBL741289

SCHEMBL741289

COCCCn1c(C2CCCN(C(=O)CC(N)Cc3ccc(-c4ccc5c(c4)CCO5)cc3)C2)nc2c(F)cccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.36
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CLK1 P49759 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
HRH1 P35367 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
CYP2D6 P10635 1/20 0.32
DPP4 P27487 5/20 0.32
DPP8 Q6V1X1 2/20 0.31
DPP9 Q86TI2 2/20 0.31
DPP7 Q9UHL4 2/20 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
SCHEMBL741288 1.00 CFD (0.36) CFDKMT2AKDM4ECLK1RXFP1
SCHEMBL738529 0.93 KMT2A (0.36) CFDKMT2AKDM4ECLK1RXFP1
SCHEMBL740270 0.93 KMT2A (0.36) CFDKMT2AKDM4ECLK1RXFP1
SCHEMBL738530 0.93 KMT2A (0.36) CFDKMT2AKDM4ECLK1RXFP1
SCHEMBL739094 0.93 CFD (0.35) CFDKMT2AKDM4EHRH1ALDH1A1
SCHEMBL739093 0.93 CFD (0.35) CFDKMT2AKDM4EHRH1ALDH1A1
SCHEMBL740111 0.90 CFD (0.34) CFDKMT2AHRH1ALDH1A1TSHR
SCHEMBL740110 0.90 CFD (0.34) CFDKMT2AHRH1ALDH1A1TSHR
SCHEMBL741981 0.88 CFD (0.35) CFDKMT2AHRH1ALDH1A1TSHR
SCHEMBL741982 0.88 CFD (0.35) CFDKMT2AHRH1ALDH1A1TSHR

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
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US claimed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed