SCHEMBL9568007

SCHEMBL9568007

O=C(CC1CCc2ccccc2C1)NCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.50
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
EPHX2 P34913 4/20 0.46
CNR2 P34972 4/20 0.46
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
UGCG Q16739 1/20 0.43
TPSAB1 Q15661 1/20 0.43
CASR P41180 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PREP P48147 2/20 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
SCHEMBL9046527 0.81 PTGIR (0.67)
SCHEMBL9568071 0.81 SLC6A4 (0.50) MTNR1AMTNR1BPRMT5WDR77UGCG
SCHEMBL9567956 0.78 UGCG (0.48) MTNR1AMTNR1BPRMT5WDR77UGCG
SCHEMBL9567973 0.77 HPGD (0.53) MTNR1AMTNR1B
SCHEMBL26081959 0.76 CNR1 (0.51) CNR1MTNR1AMTNR1BEPHX2CNR2
SCHEMBL9567955 0.76 CNR1 (0.48) CNR1MTNR1AMTNR1BEPHX2CNR2
SCHEMBL8713442 0.76 MTNR1A (0.52) MTNR1AMTNR1BPRMT5WDR77UGCG
SCHEMBL7304447 0.75 DGAT1 (0.58) MTNR1AMTNR1BPREP
SCHEMBL30612421 0.75 DGAT1 (0.58) MTNR1AMTNR1BPREP
SCHEMBL3406500 0.75 DGAT1 (0.58) MTNR1AMTNR1BPREP

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