SCHEMBL14833501

SCHEMBL14833501

COc1ccc(C2CNCCN2CC=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
REN P00797 2/20 0.39
MAP1LC3B Q9GZQ8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
ADRA2C P18825 1/20 0.38

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
SCHEMBL14833444 0.86 HTR2C (0.45) ADRB1HTR2AHTR2CHTR2BCHRNA7
SCHEMBL16465249 0.83 HTR2C (0.39) SIGMAR1ALDH1A1HTR2AHTR2CHTR2B
SCHEMBL19066025 0.81 MAOA (0.44) MAOAHTR3EHTR3BADRB1HTR3A
SCHEMBL5323955 0.77 HSD17B10 (0.46) MAOAHTR3EHTR3BADRB1HTR3A
SCHEMBL659344 0.77 MAOA (0.49) MAOAHTR3EHTR3BADRB1HTR3A
SCHEMBL14785647 0.76 MAOA (0.41) MAOAHTR3EHTR3BADRB1HTR3A
SCHEMBL7582143 0.75 CHRM3 (0.41) MAOAHTR3EHTR3BADRB1HTR3A
SCHEMBL7584165 0.75 CALM1 (0.42) MAOASIGMAR1REN
SCHEMBL7464685 0.75 USP19 (0.46) MAOAHTR3EHTR3BADRB1HTR3A
SCHEMBL11707128 0.75 SIGMAR1 (0.51) HTR3ASIGMAR1OPRM1OPRK1

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-2760862-A1 6-(4-HYDROXY-PHENYL)-3-ALKYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI (FR) 2014-08-06 EP disclosed
WO-2013045413-A1 6-(4-HYDROXY-PHENYL)-3-ALKYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI (FR) 2013-04-04 WO disclosed