SCHEMBL6217856

SCHEMBL6217856

O=C([N]C1CCNC1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
JAK3 P52333 1/20 0.40
CHRNB2 P17787 2/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA7 P36544 2/20 0.39
CHRNA4 P43681 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL8396819 0.81 TDP1 (0.44) KMT2ACHRNA7MAPTHTTTDP1
SCHEMBL3033731 0.78 MCL1 (0.44) KMT2AMAPTHTTTDP1
SCHEMBL8396484 0.78 TDP1 (0.41) KMT2ACHRNA7MAPTHTTTDP1
SCHEMBL13495897 0.77 KMT2A (0.38) KMT2AJAK3SIGMAR1
SCHEMBL8396555 0.77 MCL1 (0.43) KMT2AMAPTHTTTDP1
SCHEMBL8394538 0.77 MCL1 (0.43) KMT2AMAPTHTTTDP1
SCHEMBL5168305 0.77 MCL1 (0.43) KMT2AMAPTHTTTDP1
SCHEMBL407286 0.71 KMT2A (0.53) KMT2A
Hydrochloric Acid SCHEMBL440964 0.70 KMT2A (0.56) KMT2A
SCHEMBL6557530 0.70 HTT (0.38) KMT2ACHRNB2CHRNB4CHRNA3CHRNA7

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
EP-1188744-B1 Process for producing optically active 1H-3-aminopyrrolidine and derivatives thereof MITSUBISHI CHEM CORP (JP) 2005-11-02 EP claimed