SCHEMBL8808563

SCHEMBL8808563

CC(=O)Oc1cccc2c1CCCC2CCCn1cc(C(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 6/20 0.70
SIGMAR1 Q99720 3/20 0.45
HTR1A P08908 1/20 0.45
ADRA1A P35348 1/20 0.45
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43

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
SCHEMBL8411072 0.95 PTGIR (0.78) PTGIRSIGMAR1HTR1AADRA1A
SCHEMBL8411099 0.89 PTGIR (0.69) PTGIRSIGMAR1HTR1AADRA1A
SCHEMBL8520475 0.89 PTGIR (0.70) PTGIRSIGMAR1HTR1A
SCHEMBL8410718 0.88 PTGIR (0.90) PTGIRSIGMAR1HTR1AADRA1A
SCHEMBL8411068 0.82 PTGIR (1.00) PTGIR
SCHEMBL8520473 0.78 PTGIR (0.89) PTGIR
SCHEMBL8410884 0.77 PTGIR (0.64) PTGIR
SCHEMBL8411096 0.77 PTGIR (0.90) PTGIR
SCHEMBL8808628 0.77 PTGIR (0.50) PTGIRSIGMAR1
SCHEMBL8808959 0.75 PTGIR (0.47) 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 5 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 claimed
EP-0548949-A2 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1993-06-30 EP claimed
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