SCHEMBL740997

SCHEMBL740997

N[C@@H](CC(=O)N1CCCC(c2nc3ccccc3[nH]2)C1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
KDM4E B2RXH2 3/20 0.46
GRIN2B Q13224 1/20 0.45
HTR2B P41595 4/20 0.44
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
USP30 Q70CQ3 1/20 0.41

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
SCHEMBL762555 0.88 KDM4E (0.59) POLBKDM4EGRIN2BHTR2BMAPK1
SCHEMBL739974 0.85 POLB (0.48) POLBKDM4EGRIN2BHTR2BMAPK1
SCHEMBL740360 0.82 GRIN2B (0.56) POLBKDM4EGRIN2BHTR2BMAPK1
SCHEMBL739659 0.82 POLB (0.49) POLBKDM4EGRIN2BHTR2BMAPK1
SCHEMBL741501 0.81 POLB (0.50) POLBKDM4EGRIN2BHTR2BMAPK1
SCHEMBL738313 0.80 POLB (0.47) POLBKDM4EGRIN2BHTR2BMAPK1
SCHEMBL740464 0.79 GRIN2B (0.49) POLBKDM4EGRIN2BHTR2BMAPK1
SCHEMBL740308 0.78 POLB (0.48) POLBKDM4EGRIN2BHTR2BMAPK1
SCHEMBL741353 0.78 GRIN2B (0.57) POLBKDM4EGRIN2BHTR2BMAPK1
SCHEMBL739171 0.78 POLB (0.52) POLBKDM4EGRIN2BHTR2BMAPK1

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 3 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