SCHEMBL7071387

SCHEMBL7071387

CCC(Br)c1c[nH]c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.69
FFAR1 O14842 2/20 0.60
HTR2A P28223 3/20 0.56
HTR2C P28335 2/20 0.56
HTR2B P41595 2/20 0.56
CYP2D6 P10635 2/20 0.48
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
KCNH2 Q12809 1/20 0.48
ATM Q13315 1/20 0.46
SRC P12931 1/20 0.45
MEN1 O00255 4/20 0.45
MAPT P10636 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP3A4 P08684 2/20 0.44

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
SCHEMBL7005714 0.81 GPR84 (1.00) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL20037115 0.81 GPR84 (0.73) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL24123052 0.81 GPR84 (0.67) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL5645874 0.81 GPR84 (0.62) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL10070049 0.80 HTR2A (0.72) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL12671700 0.80 HTR2A (0.72) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL12671597 0.80 HTR2A (0.72) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL7615301 0.79 GPR84 (0.67) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL4299844 0.79 GPR84 (0.56) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL10870620 0.79 GPR84 (0.69) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315731-A1 2-PYRIDINYL-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-A]PYRIMIDIN-4-ONE AND 7-PYRIDINYL-2,3-DIHYDROIMIDAZO[1,2-A]PYRIMIDIN-5(1H)ONE DERIVATIVES SANOFI-SYNTHELABO (FR) 2003-06-04 EP disclosed
WO-2002018386-A1 2-PYRIDINYL-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a]PYRIMIDIN-4-ONE AND 7-PYRIDINYL-2,3-DIHYDROIMIDAZO[1,2-a]PYRIMIDIN-5(1H)ONE DERIVATI VES SANOFI-SYNTHELABO (FR) 2002-03-07 WO disclosed