SCHEMBL9351817

SCHEMBL9351817

O=C(O)CCCOc1ccccc1NC(=O)c1ccc(OCCCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.59
ADRA1A P35348 4/20 0.59
ADRA1B P35368 4/20 0.59
FFAR1 O14842 2/20 0.57
CYSLTR2 Q9NS75 9/20 0.56
CYSLTR1 Q9Y271 8/20 0.56
CACNA1H O95180 2/20 0.55
CACNA1B Q00975 1/20 0.54
S1PR1 P21453 1/20 0.54
S1PR3 Q99500 1/20 0.54
NR1H4 Q96RI1 1/20 0.54

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
SCHEMBL9348939 0.97 ADRA1D (0.60) ADRA1DADRA1AADRA1BFFAR1CYSLTR2
SCHEMBL9351304 0.90 SMN1; SMN2 (0.63) ADRA1DADRA1AADRA1BCACNA1HCACNA1B
SCHEMBL5936643 0.88 SMN1; SMN2 (0.61) CACNA1HCACNA1BNR1H4
SCHEMBL9171590 0.86 ADRA1D (0.62) ADRA1DADRA1AADRA1BCACNA1HCACNA1B
SCHEMBL9857414 0.86 NR1H4 (0.59) ADRA1AFFAR1CYSLTR2CYSLTR1CACNA1H
SCHEMBL9066391 0.85 GAA (0.58) ADRA1DADRA1AADRA1BCACNA1HCACNA1B
SCHEMBL9347607 0.85 SENP7 (0.66) ADRA1DADRA1AADRA1BFFAR1CACNA1H
SCHEMBL9175328 0.84 ADRA1D (0.58) ADRA1DADRA1AADRA1BCACNA1HCACNA1B
SCHEMBL10719026 0.84 NR1H4 (0.55) ADRA1DADRA1AADRA1BFFAR1CYSLTR2
SCHEMBL9347844 0.83 ADRA1D (0.56) ADRA1DADRA1AADRA1BCACNA1HCACNA1B

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-0294035-B1 Benzoylaminophenoxybutanoic acid derivatives ONO PHARMACEUTICAL CO (JP) 1994-08-31 EP claimed
US-4935240-A Benzoylaminophenoxybutanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1990-06-19 US claimed
EP-0294035-A2 Benzoylaminophenoxybutanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1988-12-07 EP claimed