SCHEMBL13150765

SCHEMBL13150765

O=C1CCc2ccccc2N1Cc1ccccc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.58
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
C5AR1 P21730 11/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CHRM1 P11229 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CHRM5 P08912 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL3717818 0.82 C5AR1 (0.48) C5AR1KMT2ACHRM5
SCHEMBL13151666 0.81 POLB (0.49) POLBCYP1A2CYP2C9CYP2C19C5AR1
SCHEMBL13150794 0.78 TSHR (0.66) POLBMEN1KMT2ACHRM1LMNA
SCHEMBL30806715 0.76 POLB (0.56) POLBCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL13150780 0.76 ALDH1A1 (0.70) KMT2ACHRM1CHRM5HDAC1HDAC6
SCHEMBL30806442 0.74 ATAD2 (0.52) POLBC5AR1MEN1KMT2ACHRM1
SCHEMBL10688767 0.74 POLB (1.00) POLBCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL29880432 0.74 POLB (1.00) POLBCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL13150789 0.74 C5AR1 (0.48) C5AR1KMT2ACHRM5
SCHEMBL3176824 0.72 PTGS1 (0.56) POLBMEN1KMT2ACHRM5

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