SCHEMBL21089112

SCHEMBL21089112

CCCC(CC)c1c[nH]c2cc(N)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.44
FFAR1 O14842 1/20 0.44
IMPDH2 P12268 3/20 0.39
HTR2A P28223 4/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
ASH1L Q9NR48 1/20 0.35
CLK1 P49759 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL21729380 0.92 GPR84 (0.39) GPR84FFAR1IMPDH2HTR2AHTR2C
SCHEMBL399231 0.80 HTR2A (0.47) GPR84FFAR1IMPDH2HTR2AHTR2C
SCHEMBL20048442 0.78 GPR84 (0.71) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL5488035 0.76 IMPDH2 (0.46) GPR84FFAR1IMPDH2HTR2AHTR2C
SCHEMBL396507 0.76 IMPDH2 (0.46) GPR84FFAR1IMPDH2HTR2AHTR2C
SCHEMBL5851341 0.73 GPR84 (0.62) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL14145831 0.71 GPR84 (0.75) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL20226530 0.70 PDE2A (0.35) ALDH1A1TP53CYP3A4MEN1KMT2A
SCHEMBL852664 0.70 KDM4E (0.41) CYP2C19ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL29045649 0.70 GPR84 (0.61) GPR84FFAR1HTR2AHTR2CHTR2B

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-2558446-B1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2019-06-12 EP disclosed