SCHEMBL4023977

SCHEMBL4023977

Cc1cn(C)cc1OC(=O)Nc1ccccc1-c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 14/20 0.50
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
NTRK1 P04629 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
SCHEMBL4027201 0.88 CHRM3 (0.49) CHRM3ALDH1A1KDM4ENPC1MAPT
SCHEMBL4027799 0.88 CHRM3 (0.52) CHRM3
SCHEMBL4033730 0.88 CHRM3 (0.52) CHRM3
SCHEMBL4031383 0.86 CHRM3 (0.48) CHRM3ALDH1A1KDM4ENPC1MAPT
SCHEMBL4025143 0.85 CHRM3 (0.50) CHRM3ALDH1A1KDM4ELMNACYP1A2
SCHEMBL4028003 0.85 CHRM3 (0.48) CHRM3ALDH1A1KDM4ELMNACYP1A2
SCHEMBL4027573 0.84 CHRM3 (0.54) CHRM3
SCHEMBL4030355 0.83 CHRM3 (0.52) CHRM3ALDH1A1LMNA
SCHEMBL4027611 0.81 CHRM3 (0.47) CHRM3ALDH1A1KDM4ENPC1MAPT
SCHEMBL4026463 0.81 CHRM3 (0.52) CHRM3ALDH1A1

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-1252140-B1 PYRROLECARBOXAMIDES AND PYRROLETHIOAMIDES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-05-13 EP claimed