SCHEMBL29335488

SCHEMBL29335488

COc1ccc(N(Cc2ccc(F)cc2)CC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.46
BCHE P06276 1/20 0.46
TAS2R14 Q9NYV8 1/20 0.42
PYCR1 P32322 1/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
ATM Q13315 1/20 0.42
CETP P11597 1/20 0.41
NFE2L2 Q16236 1/20 0.41
APLNR P35414 1/20 0.41
CNR1 P21554 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
FPR2 P25090 1/20 0.40
KCNQ4 P56696 1/20 0.40
KCNQ5 Q9NR82 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL20871882 0.92 PYCR1 (0.47) CNR2PYCR1APLNRCNR1MAPT
SCHEMBL20871893 0.86 CNR2 (0.52) CNR2BCHEPYCR1APLNRCNR1
SCHEMBL22340488 0.86 CNR2 (0.52) CNR2BCHEPYCR1APLNRCNR1
SCHEMBL20871881 0.85 BMP1 (0.45) CNR2PYCR1CNR1MAPTLMNA
SCHEMBL20871894 0.85 CTSK (0.47) CNR2PYCR1MAOAMAOBAPLNR
SCHEMBL22340483 0.85 CNR2 (0.53) CNR2PYCR1APLNRCNR1MAPT
SCHEMBL22340467 0.84 CNR2 (0.51) CNR2BCHETAS2R14MAOAMAOB
SCHEMBL20871889 0.82 CTSK (0.49) CNR2BCHECNR1MAPTLMNA
SCHEMBL22340909 0.82 CETP (0.46) CNR2BCHETAS2R14MAOAMAOB
SCHEMBL13673209 0.82 CA1 (0.46) CNR2APLNRCNR1MAPTMAPK1

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-3707132-B1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES UNIV PARIS SACLAY (FR) 2024-07-17 EP disclosed