SCHEMBL534412

SCHEMBL534412

NC(c1ccccc1)N1CCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.50
SLC6A4 P31645 4/20 0.50
GAA P10253 4/20 0.48
TP53 P04637 4/20 0.48
MAPT P10636 4/20 0.48
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.43
CDK4 P11802 1/20 0.43
ALOX15 P16050 1/20 0.43
CCND1 P24385 1/20 0.43
HTT P42858 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 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
SCHEMBL5848569 0.81 SLC6A2 (0.52) SLC6A2SLC6A4GAATP53MAPT
SCHEMBL10802819 0.79 SLC6A2 (0.54) SLC6A2SLC6A4GAATP53MAPT
SCHEMBL5847681 0.79 SLC6A2 (0.54) SLC6A2SLC6A4GAATP53MAPT
SCHEMBL25112007 0.78 SLC6A2 (0.49) SLC6A2SLC6A4GAATP53MAPT
SCHEMBL11852260 0.78 GAA (0.47) SLC6A2SLC6A4GAATP53MAPT
SCHEMBL1963702 0.75 MAPT (0.58) SLC6A2SLC6A4GAATP53MAPT
SCHEMBL17652441 0.75 SLC6A2 (0.47) SLC6A2SLC6A4GAATP53MAPT
SCHEMBL11729757 0.74 SLC6A2 (0.46) SLC6A2SLC6A4GAATP53MAPT
SCHEMBL463221 0.74 SLC6A2 (0.42) SLC6A2SLC6A4GAATP53MAPT
SCHEMBL25333374 0.74 SLC6A2 (0.43) SLC6A2SLC6A4GAATP53MAPT

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-2414323-A1 DERIVATIVES OF AMINOCYCLOBUTANE OR AMINOCYCLOBUTENE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICAL PRODUCTS Pierre Fabre Médicament (FR) 2012-02-08 EP disclosed