SCHEMBL740982

SCHEMBL740982

COCCCNc1ccc(C)cc1N

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.61
HDAC6 Q9UBN7 1/20 0.60
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PRSS1 P07477 8/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.42
KAT2B Q92831 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 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
SCHEMBL8317776 0.87 PTGER4 (0.51) PTGER4HDAC6LMNAHTTSMN1; SMN2
SCHEMBL124591 0.86 HDAC6 (0.71) PTGER4HDAC6SMN1; SMN2PRSS1ALDH1A1
SCHEMBL5710608 0.83 PTGER4 (0.56) PTGER4HDAC6LMNASMN1; SMN2PRSS1
SCHEMBL7137884 0.81 HDAC6 (0.65) HDAC6SMN1; SMN2PRSS1KAT2BCYP3A4
SCHEMBL5806008 0.80 HDAC6 (0.63) HDAC6PRSS1KAT2B
SCHEMBL14906563 0.80 HDAC6 (0.63) PTGER4HDAC6PRSS1ALDH1A1KDM4E
SCHEMBL30516497 0.80 HDAC6 (0.63) PTGER4HDAC6SMN1; SMN2PRSS1ALDH1A1
SCHEMBL6248663 0.80 HDAC6 (0.63) PTGER4HDAC6SMN1; SMN2PRSS1ALDH1A1
SCHEMBL28285013 0.80 HDAC6 (0.50) PTGER4HDAC6LMNAHTTSMN1; SMN2
SCHEMBL9759453 0.79 HDAC6 (0.55) PTGER4HDAC6PRSS1ALDH1A1KDM4E

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