SCHEMBL6625263

SCHEMBL6625263

NNc1ccc(F)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
MAOA P21397 1/20 0.38
PTGS1 P23219 1/20 0.38
OPRM1 P35372 1/20 0.38
KCNH2 Q12809 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
IDO1 P14902 5/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
SLC40A1 Q9NP59 1/20 0.35
GAA P10253 2/20 0.33

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
SCHEMBL20265857 0.86 MEN1 (0.38) TDP1ALDH1A1MAPTADORA3MAOA
SCHEMBL8852094 0.77 IDO1 (0.57) TDP1ALDH1A1MAPTPOLBL3MBTL1
SCHEMBL30366540 0.77 HPRT1 (0.46) TDP1ALDH1A1MAPTL3MBTL1SLC6A4
SCHEMBL6562728 0.77 HPRT1 (0.46) TDP1ALDH1A1MAPTL3MBTL1SLC6A4
Hydrochloric Acid SCHEMBL27680798 0.76 IDO1 (0.55) TDP1ALDH1A1MAPTPOLBL3MBTL1
SCHEMBL27641339 0.74 IDO1 (0.48) TDP1ALDH1A1MAPTADORA3MAOA
SCHEMBL14048610 0.74 MEN1 (0.65) TDP1ALDH1A1MAPTPTGS1POLB
SCHEMBL6631371 0.73 CYP1A2 (0.59) TDP1ALDH1A1MAPTADORA3MAOA
SCHEMBL2478233 0.73 CYP2A6 (0.59) TDP1ALDH1A1MAPTADORA3MAOA
SCHEMBL6630536 0.73 RXFP1 (0.53) TDP1ALDH1A1MAPTADORA3MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0894799-B1 INDOLOMORPHINANE DERIVATIVES AND REMEDIES/PREVENTIVES FOR CEREBRAL DISORDERS TORAY INDUSTRIES (JP) 2004-04-07 EP disclosed
CN-1117754-C Indolomorphinane derivatives and remedies/preventives for cerebral disorders TORAY INDUSTRIES (JP) 2003-08-13 CN disclosed
US-6156762-A Indolomorphinan derivative and agent for curing and preventing cerebral disorder TORAY INDUSTRIES, INC. (JP) 2000-12-05 US disclosed
CN-1220668-A INDOLOMORPHINANE DERIVATIVES AND REMEDIES/PREVENTIVES FOR CEREBRAL DISORDERS TORAY INDUSTRIES (JP) 1999-06-23 CN disclosed
EP-0894799-A1 INDOLOMORPHINANE DERIVATIVES AND REMEDIES/PREVENTIVES FOR CEREBRAL DISORDERS TORAY INDUSTRIES, INC. (JP) 1999-02-03 EP disclosed