SCHEMBL19233943

SCHEMBL19233943

N[C@@H]1CN[C@H](C(=O)NCc2cccc(OC(F)(F)F)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 5/20 0.50
▸ CFD P00746 1/20 0.49
▸ HTR2C P28335 3/20 0.49
▸ MAPK14 Q16539 1/20 0.49
▸ ROCK2 O75116 3/20 0.47
▸ ROCK1 Q13464 2/20 0.47
▸ EPHX2 P34913 1/20 0.46
▸ CETP P11597 1/20 0.45
▸ NAMPT P43490 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ CACNA1G O43497 1/20 0.42
▸ CACNA1H O95180 1/20 0.42
▸ CACNA1I Q9P0X4 1/20 0.42
▸ KIT P10721 1/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ SCN5A Q14524 1/20 0.42

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
SCHEMBL19234012 0.79 MC4R (0.57) HTR2CCACNA1G
SCHEMBL19234280 0.78 CFD (0.46) CFDHTR2C
SCHEMBL19233887 0.76 CFD (0.49) CFD
SCHEMBL13647056 0.75 MAPK14 (0.63) SCN9AHTR2CMAPK14ROCK2ROCK1
SCHEMBL19234386 0.74 F2 (0.42) CFDCHRM3KITCNR1
SCHEMBL29418710 0.73 HPGD (0.63) SCN9ACFDHTR2CMAPK14ROCK2
SCHEMBL20477566 0.73 HPGD (0.63) SCN9ACFDHTR2CMAPK14ROCK2
SCHEMBL20477540 0.73 HPGD (0.63) SCN9ACFDHTR2CMAPK14ROCK2
SCHEMBL29418763 0.73 HPGD (0.63) SCN9ACFDHTR2CMAPK14ROCK2
SCHEMBL4575965 0.73 MAPK14 (0.60) SCN9AHTR2CMAPK14ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2661433-B1 INDOLE COMPOUNDS OR ANALOGUES THEREOF USEFUL FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) NOVARTIS AG (CH) 2017-08-16 — — EP disclosed
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