SCHEMBL20106885

SCHEMBL20106885

Cc1cc(C)c(N2CC2)c(C)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
MAPT P10636 3/20 0.60
HTT P42858 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
POLB P06746 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HRH3 Q9Y5N1 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.38
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
ACHE P22303 1/20 0.36
GAA P10253 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
SSTR2 P30874 1/20 0.34

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
SCHEMBL20180504 0.91 NPSR1 (0.53) ALDH1A1MAPTHTTNPSR1POLB
SCHEMBL283988 0.90 ALDH1A1 (0.52) ALDH1A1MAPTHTTNPSR1POLB
SCHEMBL15316122 0.90 ALDH1A1 (0.61) ALDH1A1MAPTHTTNPSR1POLB
Hydrochloric Acid SCHEMBL28554078 0.87 ALDH1A1 (0.50) ALDH1A1MAPTHTTNPSR1POLB
Hydrochloric Acid SCHEMBL451487 0.87 ALDH1A1 (0.50) ALDH1A1MAPTHTTNPSR1POLB
SCHEMBL28517649 0.87 ALDH1A1 (0.65) ALDH1A1MAPTHTTNPSR1POLB
Bromide SCHEMBL1608735 0.87 ALDH1A1 (0.50) ALDH1A1MAPTHTTNPSR1POLB
SCHEMBL18027642 0.84 CRHR1 (0.49) ALDH1A1MAPTHTTNPSR1POLB
SCHEMBL2366412 0.84 ADRB1 (0.50) ALDH1A1MAPTHTTNPSR1POLB
SCHEMBL27892747 0.83 ALDH1A1 (0.51) ALDH1A1MAPTHTTNPSR1POLB

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
WO-2018080917-A1 FUSED BICYLIC PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO disclosed