SCHEMBL8811301

SCHEMBL8811301

CC(=O)Oc1cccc2c1CCCC2CCn1cnc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 7/20 0.46
SIGMAR1 Q99720 2/20 0.42
PTGS2 P35354 3/20 0.41
HTR1A P08908 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL8411234 0.91 PTGIR (0.46) PTGIRSIGMAR1PTGS2HTR1AADRA1A
SCHEMBL8812547 0.91 PTGIR (0.44) PTGIRSIGMAR1PTGS2HTR1AADRA1A
SCHEMBL8412769 0.88 PTGIR (0.59) PTGIRSIGMAR1PTGS2
SCHEMBL8411232 0.87 PTGIR (0.49) PTGIRSIGMAR1HTR1AADRA1A
SCHEMBL8810596 0.80 PTGIR (0.46) PTGIRPTGS2
SCHEMBL8414274 0.78 SIGMAR1 (0.46) PTGIRSIGMAR1HTR1AADRA1A
SCHEMBL8810160 0.76 PTGIR (0.47) PTGIRSIGMAR1HTR1AADRA1A
SCHEMBL8808959 0.76 PTGIR (0.47) PTGIRSIGMAR1
SCHEMBL8412021 0.75 PTGIR (0.51) PTGIR
SCHEMBL8809395 0.74 PTGIR (0.48) PTGIRSIGMAR1

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-0548949-B1 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO (JP) 1997-09-17 EP disclosed
US-5589496-A Fused benzeneoxyacetic acid derivatives which have PGI2 receptor agonist activity ONO PHARMACEUTICAL CO., LTD. (JP) 1996-12-31 US disclosed
EP-0548949-A2 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1993-06-30 EP disclosed