SCHEMBL9568170

SCHEMBL9568170

O=C(NOC(c1ccccc1)c1ccccc1)C1CCc2ccccc2C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.45
GHSR Q92847 1/20 0.45
F2 P00734 1/20 0.41
FAAH O00519 2/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
GBA1 P04062 1/20 0.40
PLD2 O14939 1/20 0.39
PLD1 Q13393 1/20 0.39
GRM7 Q14831 2/20 0.39
EPHX2 P34913 2/20 0.39
LMNA P02545 1/20 0.38
NPY5R Q15761 2/20 0.38

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
SCHEMBL9048633 0.82 PTGIR (0.38) P2RX7GHSRF2EPHX2LMNA
SCHEMBL9048637 0.80 PTGIR (0.45) MTNR1AMTNR1BEPHX2
SCHEMBL9048642 0.80 PTGIR (0.62)
SCHEMBL9567957 0.79 LMNA (0.63) P2RX7GHSRFAAHMTNR1AMTNR1B
SCHEMBL9567956 0.78 UGCG (0.48) MTNR1AMTNR1BNPY5R
SCHEMBL9568092 0.77 GHSR (0.49) P2RX7GHSRF2FAAHMTNR1A
SCHEMBL6584064 0.76 P2RX7 (0.53) P2RX7GHSRF2FAAHMTNR1A
SCHEMBL6584070 0.76 P2RX7 (0.53) P2RX7GHSRF2FAAHMTNR1A
SCHEMBL366547 0.75 P2RX7 (0.55) P2RX7GHSRFAAHMTNR1AMTNR1B
SCHEMBL6642213 0.74 GHSR (0.69) P2RX7GHSRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP claimed
EP-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP disclosed