SCHEMBL742029

SCHEMBL742029

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 12/20 0.36
PADI4 Q9UM07 2/20 0.36
DRD2 P14416 3/20 0.34
DRD4 P21917 3/20 0.34
DRD3 P35462 3/20 0.34
CTSC P53634 1/20 0.34
THRB P10828 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL742030 1.00 NSD2 (0.36) NSD2PADI4DRD2DRD4DRD3
SCHEMBL741797 0.94 LIPG (0.35) NSD2PADI4DRD2DRD4DRD3
SCHEMBL741798 0.94 LIPG (0.35) NSD2PADI4DRD2DRD4DRD3
SCHEMBL741966 0.90 AKT1 (0.36) PADI4
SCHEMBL742052 0.90 AKT1 (0.36) PADI4
SCHEMBL741160 0.89 BTK (0.31) CTSC
SCHEMBL741161 0.89 BTK (0.31) CTSC
SCHEMBL742248 0.86 MAPT (0.39) DRD2DRD4DRD3RXFP1
SCHEMBL742247 0.86 MAPT (0.39) DRD2DRD4DRD3RXFP1
SCHEMBL739856 0.86 PIK3CD (0.37) CTSC

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