SCHEMBL6508976

SCHEMBL6508976

O=C(CCC1CCCNC1)Nc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.67
CHRNB2 P17787 1/20 0.58
CHRNB4 P30926 1/20 0.58
CHRNA3 P32297 1/20 0.58
CHRNA4 P43681 1/20 0.58
ROCK2 O75116 2/20 0.58
KLK7 P49862 1/20 0.55
EPHX2 P34913 1/20 0.55
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
ACP1 P24666 1/20 0.51
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 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
SCHEMBL7567808 0.92 KMT2A (0.60) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL31227621 0.86 KMT2A (0.60) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL29086653 0.85 KLK7 (0.72) KMT2AKLK7EPHX2ALDH1A1MEN1
SCHEMBL4069437 0.84 EPHX2 (0.71) KMT2AKLK7EPHX2ALDH1A1MEN1
SCHEMBL29086702 0.84 EPHX2 (0.71) KMT2AKLK7EPHX2ALDH1A1MEN1
SCHEMBL27742622 0.80 KMT2A (1.00) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL30207793 0.79 ALDH1A1 (0.51) KMT2AALDH1A1MEN1CYP3A4TDP1
SCHEMBL306802 0.79 ROCK2 (0.61) KMT2AROCK2ALDH1A1MEN1SMN1; SMN2
SCHEMBL29850847 0.78 EPHX2 (0.63) KMT2AEPHX2SMN1; SMN2NPC1RAB9A
SCHEMBL4750144 0.78 LDLR (0.47) KMT2AROCK2ALDH1A1NPSR1

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-2005033068-A1 SOMATOSTATIN RECEPTOR 1 AND/OR 4 SELECTIVE AGONISTS AND ANTAGONISTS OY JUVANTIA PHARMA LTD (FI) 2005-04-14 WO disclosed