SCHEMBL3717818

SCHEMBL3717818

O=C1CCc2c(F)cccc2N1Cc1ccccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 15/20 0.48
CHRM5 P08912 1/20 0.46
ALDH1A1 P00352 1/20 0.44
GLRA3 O75311 1/20 0.44
GLRB P48167 1/20 0.44
KMT2A Q03164 1/20 0.41

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
SCHEMBL13151666 0.86 POLB (0.49) C5AR1CHRM5ALDH1A1KMT2A
SCHEMBL13150765 0.82 POLB (0.58) C5AR1CHRM5KMT2A
SCHEMBL14253733 0.72 HTR1A (0.49) ALDH1A1
SCHEMBL13150780 0.72 ALDH1A1 (0.70) CHRM5ALDH1A1KMT2A
SCHEMBL13150794 0.72 TSHR (0.66) CHRM5ALDH1A1KMT2A
SCHEMBL13150171 0.70 GLRA3 (0.69) C5AR1GLRA3GLRBKMT2A
SCHEMBL13150789 0.70 C5AR1 (0.48) C5AR1CHRM5KMT2A
SCHEMBL4227431 0.69 CHRM1 (0.53) CHRM5
SCHEMBL13150927 0.69 C5AR1 (0.52) C5AR1
SCHEMBL3176824 0.69 PTGS1 (0.56) CHRM5ALDH1A1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010116270-A1 EP2/4 AGONISTS PFIZER INC. (US) 2010-10-14 WO disclosed
WO-2010116270-A1 EP2/4 AGONISTS PFIZER INC. (US) 2010-10-14 WO disclosed