SCHEMBL742047

SCHEMBL742047

N[C@@H](CC(=O)N1CCCC(c2nc3ccccc3[nH]2)C1)Cc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.57
POLB P06746 2/20 0.49
KDM4E B2RXH2 3/20 0.49
DPP4 P27487 2/20 0.47
DPP7 Q9UHL4 1/20 0.47
NMT1 P30419 2/20 0.46
MAPK1 P28482 1/20 0.45
HTR2B P41595 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44

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
SCHEMBL740091 0.91 HTR2B (0.56) GRIN2BPOLBKDM4EMAPK1HTR2B
SCHEMBL741819 0.91 POLB (0.49) GRIN2BPOLBKDM4EMAPK1HTR2B
SCHEMBL740090 0.91 HTR2B (0.56) GRIN2BPOLBKDM4EMAPK1HTR2B
SCHEMBL742005 0.90 GRIN2B (0.52) GRIN2BPOLBKDM4EDPP4DPP7
SCHEMBL742573 0.88 GRIN2B (0.49) GRIN2BPOLBKDM4EMAPK1HTR2B
SCHEMBL741414 0.88 DPP4 (0.50) GRIN2BPOLBKDM4EDPP4DPP7
SCHEMBL741828 0.87 GRIN2B (0.50) GRIN2BPOLBKDM4EDPP4MAPK1
SCHEMBL740995 0.86 GRIN2B (0.54) GRIN2BPOLBKDM4EMAPK1HTR2B
SCHEMBL741958 0.85 KDM4E (0.57) GRIN2BPOLBKDM4EMAPK1CYP1A2
SCHEMBL739171 0.84 POLB (0.52) GRIN2BPOLBKDM4EDPP4MAPK1

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