SCHEMBL21557230

SCHEMBL21557230

CC1CN(Cc2ccc(F)cc2)CCN1C(=O)c1cc2c(C(=O)C=O)c[nH]c2cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.48
CCR1 P32246 13/20 0.47
MAPK11 Q15759 2/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
NQO2 P16083 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
ACTR2 P61160 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
ENPP2 Q13822 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
FPR3 P25089 1/20 0.41
GPR65 Q8IYL9 1/20 0.41
GPR35 Q9HC97 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
SCHEMBL4500409 0.86 MAPK14 (0.52) MAPK14CCR1MAPK11MAPK13MAPK12
SCHEMBL4500411 0.86 MAPK14 (0.52) MAPK14CCR1MAPK11MAPK13MAPK12
SCHEMBL4495934 0.84 MAPK14 (0.56) MAPK14CCR1MAPK11MAPK13MAPK12
SCHEMBL4495937 0.84 MAPK14 (0.56) MAPK14CCR1MAPK11MAPK13MAPK12
SCHEMBL4512803 0.83 MAPK14 (0.53) MAPK14CCR1MAPK11MAPK13MAPK12
SCHEMBL4512801 0.83 MAPK14 (0.53) MAPK14CCR1MAPK11MAPK13MAPK12
SCHEMBL4500428 0.81 CCR1 (0.51) MAPK14CCR1PTGDR2FPR3GPR65
SCHEMBL4500424 0.81 CCR1 (0.51) MAPK14CCR1PTGDR2FPR3GPR65
SCHEMBL22764065 0.77 MAPK14 (0.57) MAPK14CCR1MAPK11MAPK13MAPK12
SCHEMBL4504045 0.76 MAPK14 (0.55) MAPK14CCR1MAPK11MAPK13MAPK12

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-3081568-B1 COMPOSITIONS AND METHODS FOR TREATING ALZHEIMER'S DISEASE EIP PHARMA LLC (US) 2019-11-13 EP disclosed