SCHEMBL741828

SCHEMBL741828

N[C@@H](CC(=O)N1CCCC(c2nc3ccccc3[nH]2)C1)Cc1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.50
POLB P06746 2/20 0.49
DPP4 P27487 3/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR2B P41595 3/20 0.44
FAP Q12884 2/20 0.44
DPP8 Q6V1X1 2/20 0.44
DPP9 Q86TI2 2/20 0.44
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL740469 0.89 KDM4E (0.55) GRIN2BPOLBDPP4KDM4EMEN1
SCHEMBL741429 0.88 POLB (0.49) GRIN2BPOLBKDM4EMEN1KMT2A
SCHEMBL742047 0.87 GRIN2B (0.57) GRIN2BPOLBDPP4KDM4EHTR2B
SCHEMBL742005 0.87 GRIN2B (0.52) GRIN2BPOLBDPP4KDM4EHTR2B
SCHEMBL739171 0.84 POLB (0.52) GRIN2BPOLBDPP4KDM4EHTR2B
SCHEMBL740090 0.84 HTR2B (0.56) GRIN2BPOLBKDM4EHTR2BMAPK1
SCHEMBL740091 0.84 HTR2B (0.56) GRIN2BPOLBKDM4EHTR2BMAPK1
SCHEMBL741819 0.84 POLB (0.49) GRIN2BPOLBKDM4EHTR2BMAPK1
SCHEMBL741920 0.84 POLB (0.46) GRIN2BPOLBDPP4KDM4EHTR2B
SCHEMBL742573 0.83 GRIN2B (0.49) GRIN2BPOLBKDM4EMEN1KMT2A

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