SCHEMBL17907976

SCHEMBL17907976

O=C(O)NC1CCc2cc3ccc(F)cc3n2C1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.39
CCR3 P51677 14/20 0.38
TFPI2 P48307 1/20 0.35
MCHR1 Q99705 1/20 0.35
CHRNA7 P36544 1/20 0.35
ATM Q13315 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL17907979 0.85 PTGDR2 (0.39) PTGDR2CHRNA7
SCHEMBL13279281 0.83 HTR2A (0.40)
SCHEMBL14745400 0.72 USP30 (0.39)
SCHEMBL21028295 0.69 SIGMAR1 (0.38) HPGD
SCHEMBL17907975 0.68 CCR3 (0.50) CCR3
SCHEMBL233004 0.67 TBXA2R (0.55) PTGDR2CCR3
SCHEMBL16422984 0.66 NOTUM (0.61)
SCHEMBL16422687 0.66 NOTUM (0.61)
SCHEMBL16422685 0.66 NOTUM (0.61)
SCHEMBL17907929 0.66 CYP2D6 (0.42) PTGDR2CCR3

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-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