SCHEMBL3234282

SCHEMBL3234282

O=C(O)Oc1cn(Cc2ccccc2C(F)(F)F)c2c(F)cccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.47
FABP4 P15090 2/20 0.40
FABP3 P05413 1/20 0.40
P2RX7 Q99572 2/20 0.39
RORC P51449 3/20 0.38
S1PR1 P21453 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
GLRA3 O75311 1/20 0.37
GLRB P48167 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
ATM Q13315 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
SCHEMBL3235218 0.93 CHRM1 (0.44) CHRM1FABP4P2RX7RORCS1PR1
SCHEMBL3238408 0.88 CHRM1 (0.46) CHRM1FABP4RORC
SCHEMBL3233936 0.88 CHRM1 (0.46) CHRM1P2RX7TP53ATMMAPT
SCHEMBL3238772 0.86 CHRM1 (0.44) CHRM1FABP4FABP3P2RX7RORC
SCHEMBL3234278 0.86 CHRM1 (0.64) CHRM1FABP4FABP3RORCS1PR1
SCHEMBL3234555 0.86 CHRM1 (0.49) CHRM1P2RX7TP53MAPT
SCHEMBL3234252 0.84 CHRM1 (0.44) CHRM1P2RX7RORCTP53MAPT
SCHEMBL3234399 0.83 CHRM1 (0.63) CHRM1TP53HTTNPSR1MAPT
SCHEMBL3234592 0.82 ALDH1A1 (0.51) CHRM1RORCKDM4EMEN1TSHR
SCHEMBL3239684 0.82 CHRM1 (0.52) CHRM1P2RX7POLBMAPT

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-1963271-B1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2010-07-28 EP claimed