SCHEMBL13279354

SCHEMBL13279354

O=C1CCc2cc3ccc(F)cc3n2C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
SIGMAR1 Q99720 4/20 0.32
DAO P14920 1/20 0.32
HTR2A P28223 2/20 0.30
HTR2C P28335 2/20 0.30
ATM Q13315 1/20 0.30
MMP2 P08253 1/20 0.30
MAT2A P31153 1/20 0.30
AHR P35869 1/20 0.30
SRD5A1 P18405 1/20 0.30

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
SCHEMBL13279280 0.87 SIGMAR1 (0.42) NOTUMSIGMAR1DAOHTR2AHTR2C
SCHEMBL17907965 0.81 HTR2A (0.48) NOTUMDAOHTR2AHTR2CMAT2A
SCHEMBL17907947 0.80 ALDH1A1 (0.38) NOTUMATMMAT2ASRD5A1
SCHEMBL235219 0.78 NOTUM (0.59) NOTUMSIGMAR1HTR2AHTR2C
SCHEMBL9844700 0.77 NOTUM (0.62) NOTUMDAOHTR2AHTR2CATM
SCHEMBL19921245 0.75 HTR2A (0.39) SIGMAR1HTR2AHTR2CAHR
SCHEMBL17907932 0.71 SIGMAR1 (0.41) NOTUMSIGMAR1HTR2AHTR2C
SCHEMBL17907930 0.71 HTR2A (0.48) NOTUMHTR2AHTR2C
SCHEMBL26837141 0.70 HTR2A (0.65) SIGMAR1HTR2AHTR2C
SCHEMBL17907920 0.68 HTR2A (0.51) HTR2AHTR2C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2697223-B1 7-(HETEROARYL-AMINO)-6,7,8,9-TETRAHYDROPYRIDO[1,2-A]INDOL ACETIC ACID DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2016-07-13 EP disclosed
EP-2697223-A1 7-(HETEROARYL-AMINO)-6,7,8,9-TETRAHYDROPYRIDO[1,2-A]INDOL ACETIC ACID DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2014-02-19 EP disclosed
WO-2012140612-A1 7-(HETEROARYL-AMINO)-6,7,8,9-TETRAHYDROPYRIDO[1,2-A]INDOL ACETIC ACID DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2012-10-18 WO disclosed