SCHEMBL740765

SCHEMBL740765

CCCNC(=O)N1CCCC(c2nc3ccccc3[nH]2)C1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.78
MAPK1 P28482 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
KDM4E B2RXH2 3/20 0.56
MAPT P10636 1/20 0.52
HSD17B10 Q99714 1/20 0.52
LMNA P02545 1/20 0.52
USP30 Q70CQ3 1/20 0.51
HTR2B P41595 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
SCHEMBL739044 0.88 POLB (0.62) POLBMAPK1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL13853671 0.86 POLB (0.62) POLBMAPK1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL763386 0.85 MAPK1 (0.79) POLBMAPK1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL741494 0.82 KDM4E (0.65) POLBMAPK1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL742419 0.81 MAPK1 (0.60) POLBMAPK1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL2514536 0.81 HTR2B (0.61) POLBMAPK1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL2520100 0.81 HTR2B (0.61) POLBMAPK1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL742415 0.81 HTR2B (0.61) POLBMAPK1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL741009 0.81 USP30 (0.63) POLBMAPK1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL742064 0.80 POLB (0.56) POLBMAPK1SMN1; SMN2CYP1A2CYP3A4

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