SCHEMBL9694045

SCHEMBL9694045

CN1CC[C@@H]2CN3CCc4cccc(c43)[C@H]2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 1.00
KDM4E B2RXH2 1/20 1.00
MEN1 O00255 1/20 1.00
ALDH1A1 P00352 1/20 1.00
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 1/20 1.00
HPGD P15428 1/20 1.00
ALOX15 P16050 1/20 1.00
KMT2A Q03164 1/20 1.00
HSD17B10 Q99714 1/20 1.00
SIGMAR1 Q99720 3/20 0.52
HTR2C P28335 3/20 0.48
HRH1 P35367 2/20 0.43
HTR6 P50406 2/20 0.43
HTR1A P08908 2/20 0.43
HTR2A P28223 2/20 0.43
HTR2B P41595 2/20 0.43
CHRM5 P08912 1/20 0.43
ADRA2A P08913 1/20 0.43
DRD2 P14416 1/20 0.43

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
SCHEMBL8269669 1.00 MAPT (1.00) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL31077417 1.00 MAPT (1.00) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL13073064 1.00 MAPT (1.00) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL5926116 1.00 MAPT (1.00) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL3138381 0.92 MAPT (0.85) MAPTKDM4EMEN1ALDH1A1CYP1A2
Fumaric Acid SCHEMBL29727810 0.89 MAPT (0.80) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL3140285 0.89 MAPT (0.80) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL18622639 0.81 MAPT (0.68) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL3130236 0.81 MAPT (0.68) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL13270011 0.81 MAPT (0.68) MAPTKDM4EMEN1ALDH1A1CYP1A2

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-0473550-A1 Indolonaphthyridines SANDOZ LTD. (CH) 1992-03-04 EP disclosed