SCHEMBL2852992

SCHEMBL2852992

CC(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.53
MAPT P10636 3/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GPR6 P46095 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TRPC3 Q13507 1/20 0.44
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
HSD11B1 P28845 1/20 0.40
ACHE P22303 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
SCHEMBL2851982 0.88 CCR1 (0.55) CCR1MAPTKDM4EALDH1A1GPR6
SCHEMBL2854612 0.80 CCR1 (0.53) CCR1MAPTKDM4EALDH1A1GPR6
SCHEMBL1870724 0.80 MAPT (0.56) CCR1MAPTKDM4EALDH1A1GPR6
SCHEMBL2855462 0.79 MAPT (0.54) CCR1MAPTKDM4EALDH1A1GPR6
SCHEMBL2852931 0.77 KDM4E (0.57) CCR1MAPTKDM4EALDH1A1GPR6
SCHEMBL2855128 0.76 TRPC3 (0.56) CCR1MAPTKDM4EALDH1A1GPR6
SCHEMBL28696410 0.75 ALDH1A1 (0.76) CCR1MAPTKDM4EALDH1A1GPR6
SCHEMBL2856202 0.74 CCR1 (0.55) CCR1MAPTKDM4EALDH1A1POLB
SCHEMBL10365015 0.74 TRPC3 (0.70) CCR1MAPTKDM4EALDH1A1GPR6
SCHEMBL2858033 0.74 KDM4E (0.58) CCR1MAPTKDM4EALDH1A1POLB

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed