SCHEMBL7939833

SCHEMBL7939833

Bc1ccc(C(=O)N2CCN(c3cc(C)c(C)cc3C)CC2)cn1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 4/20 0.45
ALDH1A1 P00352 4/20 0.45
LMNA P02545 8/20 0.45
SMN1; SMN2 Q16637 6/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 5/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
TP53 P04637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.41
HPGD P15428 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
SCHEMBL7937309 0.88 HTT (0.64) HTTPOLBTSHRALDH1A1LMNA
SCHEMBL2366286 0.88 HTT (0.47) HTTPOLBTSHRALDH1A1LMNA
SCHEMBL7934118 0.81 ALDH1A1 (0.46) HTTPOLBTSHRALDH1A1LMNA
SCHEMBL14686936 0.78 MEN1 (0.58) HTTPOLBTSHRALDH1A1LMNA
SCHEMBL14687557 0.77 ALDH1A1 (0.48) HTTPOLBTSHRALDH1A1LMNA
SCHEMBL2365944 0.77 ALDH1A1 (0.46) HTTPOLBTSHRALDH1A1LMNA
SCHEMBL2366976 0.76 HTT (0.64) HTTPOLBTSHRALDH1A1LMNA
SCHEMBL19446927 0.75 HTT (0.67) HTTPOLBTSHRALDH1A1LMNA
SCHEMBL7940439 0.74 KDM4E (0.41) ALDH1A1L3MBTL1RAB9AMEN1KMT2A
SCHEMBL14687068 0.73 LMNA (0.47) HTTTSHRALDH1A1LMNASMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010050461-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE 田辺三菱製薬株式会社 (JP) 2010-05-06 WO disclosed