SCHEMBL9064997

SCHEMBL9064997

Cc1ccc(C[CH]Cc2ccc(C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.50
ACHE P22303 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP2A6 P11509 2/20 0.46
CYP1A2 P05177 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
AGXT P21549 2/20 0.44
CHRM2 P08172 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL9770101 0.90 LMNA (0.50) IDO1ACHETDP1CYP1A2TP53
SCHEMBL11400752 0.82 MAOB (0.52) IDO1ACHETDP1CYP2A6CYP1A2
SCHEMBL13214792 0.80 IDO1 (0.48) IDO1ACHETDP1CYP2A6CYP1A2
SCHEMBL7642459 0.80 IDO1 (0.48) IDO1ACHETDP1CYP2A6CYP1A2
SCHEMBL29443 0.80 IDO1 (0.48) IDO1ACHETDP1CYP2A6CYP1A2
SCHEMBL3465880 0.80 IDO1 (0.48) IDO1ACHETDP1CYP2A6CYP1A2
SCHEMBL6083608 0.78 IDO1 (0.46) IDO1ACHETDP1CYP2A6CYP1A2
SCHEMBL14473368 0.78 IDO1 (0.46) IDO1ACHETDP1CYP2A6CYP1A2
SCHEMBL87997 0.78 ALDH1A1 (0.58) IDO1ACHETDP1CYP2A6CYP1A2
SCHEMBL28627320 0.78 CYP2A6 (0.48) IDO1ACHETDP1CYP2A6CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741703-A1 PROCESS FOR PRODUCING N,N'-BRIDGED BIS-TETRAMETHYL PIPERIDINYL COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1996-11-13 EP disclosed
WO-1995021157-A1 PROCESS FOR PRODUCING N,N'-BRIDGED BIS-TETRAMETHYL PIPERIDINYL COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1995-08-10 WO disclosed