SCHEMBL8202238

SCHEMBL8202238

N#CCOc1cccc2c(CCC(=O)NC(c3ccccc3)c3cccc(Cl)c3)cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.44
SLC6A5 Q9Y345 3/20 0.44
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
IDO1 P14902 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CTSG P08311 2/20 0.36
CMA1 P23946 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNB1 Q02641 1/20 0.36
CACNA1C Q13936 1/20 0.36

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
SCHEMBL8202046 0.92 MAPT (0.42) SLC6A9SLC6A5MAPTTDP1CYP2D6
SCHEMBL8202557 0.88 SLC6A9 (0.48) SLC6A9SLC6A5MAPTTDP1MEN1
SCHEMBL8201996 0.85 SLC6A9 (0.48) SLC6A9SLC6A5MAPTTDP1CTSG
SCHEMBL8206298 0.85 ADRB3 (0.46) SLC6A9SLC6A5MAPTTDP1CTSG
SCHEMBL8201451 0.81 SLC6A9 (0.48) SLC6A9SLC6A5MAPTTDP1CTSG
SCHEMBL8201828 0.80 MAPT (0.43) SLC6A9SLC6A5MAPTTDP1IDO1
SCHEMBL693383 0.79 TDP1 (0.49) SLC6A9SLC6A5MAPTTDP1MEN1
SCHEMBL8206250 0.77 MAPT (0.47) SLC6A9SLC6A5MAPTTDP1MEN1
SCHEMBL8204141 0.77 HTR1B (0.43) SLC6A9SLC6A5MAPTTDP1CYP2D6
SCHEMBL8201916 0.77 KMT2A (0.52) MAPTTDP1CYP2C9CTSGCMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6013673-A ADMINISTERING AN EFFECTIVE AMOUNT OF A NAPHTHYLOXYACETIC ACID DERIVATIVE OR NONTOXIC ACID ADDITION SALT OR HYDRATE TO TREAT OR PREVENT ABORTION, PAINE, DIARRHEA, CATHARTICS, ULCER, GASTRITIS, HYPERTENSION AND THROMBOSIS ONO PHARMACEUTICAL CO., LTD. (JP) 2000-01-11 US claimed
EP-0719760-B1 Naphthalene derivatives and their use as PGE2 agonists and antagonists ONO PHARMACEUTICAL CO (JP) 1999-09-22 EP claimed
EP-0719760-A1 Naphthyloxyacetic acid derivatives and their use as PGW2 agonists and antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1996-07-03 EP claimed
US-6013673-A ADMINISTERING AN EFFECTIVE AMOUNT OF A NAPHTHYLOXYACETIC ACID DERIVATIVE OR NONTOXIC ACID ADDITION SALT OR HYDRATE TO TREAT OR PREVENT ABORTION, PAINE, DIARRHEA, CATHARTICS, ULCER, GASTRITIS, HYPERTENSION AND THROMBOSIS ONO PHARMACEUTICAL CO., LTD. (JP) 2000-01-11 US disclosed
EP-0719760-B1 Naphthalene derivatives and their use as PGE2 agonists and antagonists ONO PHARMACEUTICAL CO (JP) 1999-09-22 EP disclosed
EP-0719760-A1 Naphthyloxyacetic acid derivatives and their use as PGW2 agonists and antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1996-07-03 EP disclosed