SCHEMBL741139

SCHEMBL741139

O=C(C1CNC1)N1CCCC(c2nc3ccccc3[nH]2)C1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
KDM4E B2RXH2 3/20 0.58
HTR2B P41595 5/20 0.57
MAPK1 P28482 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
USP30 Q70CQ3 1/20 0.49
GRIN2B Q13224 1/20 0.49

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
SCHEMBL738960 0.91 HTR2B (0.53) POLBKDM4EHTR2BUSP30GRIN2B
SCHEMBL2514536 0.84 HTR2B (0.61) POLBKDM4EHTR2BMAPK1CYP1A2
SCHEMBL742415 0.84 HTR2B (0.61) POLBKDM4EHTR2BMAPK1CYP1A2
SCHEMBL2520100 0.84 HTR2B (0.61) POLBKDM4EHTR2BMAPK1CYP1A2
SCHEMBL741003 0.82 POLB (0.54) POLBKDM4EHTR2BMAPK1USP30
SCHEMBL741004 0.82 POLB (0.54) POLBKDM4EHTR2BMAPK1USP30
SCHEMBL739141 0.81 HTR2B (0.71) POLBKDM4EHTR2B
SCHEMBL741695 0.81 POLB (0.53) POLBKDM4EHTR2BMAPK1USP30
SCHEMBL13853671 0.81 POLB (0.62) POLBKDM4EHTR2BMAPK1CYP1A2
SCHEMBL740316 0.80 POLB (0.50) POLBKDM4EHTR2BMAPK1USP30

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 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