SCHEMBL742247

SCHEMBL742247

COCCCn1c([C@@H]2CCCN(C(=O)C[C@H](N)Cc3ccc(-c4ccc5c(c4)NC(=O)CO5)cc3)C2)nc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
HRH1 P35367 4/20 0.38
CYP2D6 P10635 2/20 0.38
KCNH2 Q12809 5/20 0.37
PARP1 P09874 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD2 P14416 2/20 0.36
DRD4 P21917 1/20 0.36
CPT1A P50416 3/20 0.36
HTR1A P08908 3/20 0.36
HTR1D P28221 3/20 0.36
HTR1B P28222 3/20 0.36
CPT2 P23786 2/20 0.36
CPT1B Q92523 2/20 0.36
ADRB1 P08588 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL742248 1.00 MAPT (0.39) MAPTALDH1A1LMNARXFP1HRH1
SCHEMBL763040 0.89 MAPT (0.39) MAPTALDH1A1LMNARXFP1HRH1
SCHEMBL2789481 0.87 PARP1 (0.37) MAPTALDH1A1PARP1DRD2DRD4
SCHEMBL738739 0.87 HRH1 (0.46) HRH1CYP2D6KCNH2CHRM1HTR2B
SCHEMBL738740 0.87 HRH1 (0.46) HRH1CYP2D6KCNH2CHRM1HTR2B
SCHEMBL742029 0.86 NSD2 (0.36) RXFP1DRD2DRD4DRD3
SCHEMBL742030 0.86 NSD2 (0.36) RXFP1DRD2DRD4DRD3
SCHEMBL741798 0.86 LIPG (0.35) RXFP1DRD2DRD4HTR1AHTR1D
SCHEMBL741797 0.86 LIPG (0.35) RXFP1DRD2DRD4HTR1AHTR1D
SCHEMBL742755 0.85 HRH1 (0.39) HRH1CYP2D6KCNH2CHRM1

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 4 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
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed