SCHEMBL8909053

SCHEMBL8909053

C=C1N(CC(CC)CCCC)c2ccccc2C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
MAPT P10636 5/20 0.40
MEN1 O00255 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 7/20 0.37
CA2 P00918 1/20 0.37
CYP3A4 P08684 1/20 0.37
OPRL1 P41146 1/20 0.37
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 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
SCHEMBL28819177 0.89 KMT2A (0.46) KMT2AMAPTMEN1L3MBTL1CYP2D6
SCHEMBL6093583 0.79 KMT2A (0.53) KMT2AMAPTMEN1L3MBTL1CYP2D6
SCHEMBL8629800 0.78 KMT2A (0.44) KMT2AMAPTMEN1CYP2D6CYP1A2
SCHEMBL7478345 0.78 KMT2A (0.44) KMT2AMAPTMEN1CYP2D6CYP1A2
SCHEMBL6091601 0.78 KMT2A (0.46) KMT2AMAPTMEN1L3MBTL1CYP2D6
SCHEMBL10448669 0.77 KMT2A (0.51) KMT2AMAPTMEN1CYP2D6CYP1A2
SCHEMBL9868831 0.76 KMT2A (0.50) KMT2AMAPTMEN1CYP2D6CYP1A2
SCHEMBL19746373 0.76 KMT2A (0.50) KMT2AMAPTMEN1CYP2D6CYP1A2
SCHEMBL9736812 0.76 KMT2A (0.50) KMT2AMAPTMEN1CYP2D6CYP1A2
SCHEMBL8475420 0.76 KMT2A (0.50) KMT2AMAPTMEN1CYP2D6CYP1A2

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-0350009-B1 Photochromic compound and photochromic composition KUREHA CHEMICAL IND CO LTD (JP) 1997-10-08 EP disclosed