SCHEMBL18404192

SCHEMBL18404192

CC(C)(C)c1ccccc1CC1CCCNC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EED O75530 4/20 0.52
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 3/20 0.44
KMT2A Q03164 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ATM Q13315 1/20 0.38
HTR2C P28335 1/20 0.38
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 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
SCHEMBL18404328 0.91 EED (0.42) EEDHRH4HRH3SLC6A2SLC6A4
SCHEMBL19908818 0.80 EED (0.56) EEDCHRNB2CHRNA4KMT2AHRH4
SCHEMBL11633199 0.77 EED (0.56) EEDCHRNB2CHRNA4KMT2AHRH4
SCHEMBL3466544 0.77 EED (0.56) EEDCHRNB2CHRNA4KMT2AHRH4
SCHEMBL3466546 0.77 EED (0.56) EEDCHRNB2CHRNA4KMT2AHRH4
SCHEMBL28517671 0.77 EED (0.56) EEDCHRNB2CHRNA4KMT2AHRH4
SCHEMBL3160580 0.77 EED (0.56) EEDCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL818681 0.74 EED (0.50) EEDCHRNB2CHRNA4KMT2AHRH4
SCHEMBL6019475 0.74 EED (0.50) EEDCHRNB2CHRNA4KMT2AHRH4
SCHEMBL818253 0.73 EED (0.56) EEDCHRNB2CHRNA4KMT2AHRH4

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-2202223-B1 HETEROCYCLIC COMPOUND AS BLOOD RBP4 LOWERING AGENT TAKEDA PHARMACEUTICALS CO (JP) 2017-01-25 EP disclosed