SCHEMBL741797

SCHEMBL741797

COCCCn1c([C@@H]2CCCN(C(=O)C[C@H](N)Cc3ccc(-c4ccc5c(c4)OCC(=O)N5)cc3)C2)nc2c(F)cccc21

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.35
PADI4 Q9UM07 3/20 0.35
CTSC P53634 2/20 0.34
NSD2 O96028 4/20 0.34
DRD2 P14416 3/20 0.34
DRD4 P21917 3/20 0.34
DRD3 P35462 3/20 0.34
CFD P00746 2/20 0.33
HTR1A P08908 2/20 0.33
HTR1D P28221 2/20 0.33
HTR1B P28222 2/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL741798 1.00 LIPG (0.35) LIPGPADI4CTSCNSD2DRD2
SCHEMBL742030 0.94 NSD2 (0.36) PADI4CTSCNSD2DRD2DRD4
SCHEMBL742029 0.94 NSD2 (0.36) PADI4CTSCNSD2DRD2DRD4
SCHEMBL741416 0.90 CFD (0.36) LIPGPADI4CFD
SCHEMBL741417 0.90 CFD (0.36) LIPGPADI4CFD
SCHEMBL740294 0.89 CFD (0.37) PADI4CTSCCFD
SCHEMBL742026 0.89 CFD (0.37) PADI4CTSCCFD
SCHEMBL742245 0.89 CFD (0.34) CTSCCFD
SCHEMBL742244 0.89 CFD (0.34) CTSCCFD
SCHEMBL739093 0.88 CFD (0.35) CFD

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