SCHEMBL3234599

SCHEMBL3234599

O=C(O)Oc1cn(Cc2cc(C(F)(F)F)ccc2Cl)c2c(F)cccc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.44
MRGPRX4 Q96LA9 4/20 0.37
RORC P51449 3/20 0.37
P2RX7 Q99572 2/20 0.36
TRAP1 Q12931 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 2/20 0.35
FFAR1 O14842 1/20 0.35
ICMT O60725 1/20 0.35
MAPT P10636 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
ALDH1A1 P00352 1/20 0.34
IL2 P60568 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
SCHEMBL3234252 0.91 CHRM1 (0.44) CHRM1MRGPRX4RORCP2RX7ICMT
SCHEMBL3234250 0.87 CHRM1 (0.59) CHRM1MRGPRX4RORCCYP3A4CYP2C9
SCHEMBL3237454 0.87 CHRM1 (0.41) CHRM1MRGPRX4P2RX7TRAP1FFAR1
SCHEMBL3234237 0.86 CHRM1 (0.56) CHRM1P2RX7POLBMAPTALDH1A1
SCHEMBL3234280 0.84 CHRM1 (0.49) CHRM1ICMTMAPTALDH1A1
SCHEMBL3236068 0.83 CHRM1 (0.51) CHRM1RORCP2RX7CYP3A4CYP2C9
SCHEMBL3233936 0.82 CHRM1 (0.46) CHRM1P2RX7MAPT
SCHEMBL3234282 0.81 CHRM1 (0.47) CHRM1RORCP2RX7POLBMAPT
SCHEMBL3234297 0.81 CHRM1 (0.48) CHRM1RORCP2RX7ICMTMAPT
SCHEMBL3235218 0.81 CHRM1 (0.44) CHRM1RORCP2RX7CYP3A4CYP2C9

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