SCHEMBL9049907

SCHEMBL9049907

CC[N+](NC(=C=O)C1CCc2c(cccc2C(=O)C(=O)O)C1)(c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.33
MTNR1B P49286 5/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
ACHE P22303 2/20 0.32
CYP1A2 P05177 2/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
DRD2 P14416 4/20 0.32
DRD3 P35462 1/20 0.32
GHSR Q92847 1/20 0.31
GRM5 P41594 1/20 0.30
DRD1 P21728 2/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
THPO P40225 1/20 0.30

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
SCHEMBL9050149 0.71 GHSR (0.33) CA1CA2ACHECYP1A2DRD2
SCHEMBL9427490 0.71 MEN1 (0.39) CA1CA2ACHECYP1A2DRD2
SCHEMBL9046598 0.69 POLB (0.41) MAPTGHSR
SCHEMBL9050707 0.68 PTGIR (0.44)
SCHEMBL9045869 0.68 LMNA (0.51)
SCHEMBL9048633 0.65 PTGIR (0.38) GHSR
SCHEMBL9048134 0.63 PTGIR (0.45)
SCHEMBL9046845 0.63 HPGD (0.47) CYP2C9CYP3A4CYP2D6
SCHEMBL9048745 0.63 PTGIR (0.44)
SCHEMBL9048366 0.62 PTGIR (0.43)

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-B1 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO (JP) 1996-07-03 EP claimed
US-5344836-A Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US claimed