SCHEMBL6161641

SCHEMBL6161641

CNc1ccccc1-c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.48
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
PTGS2 P35354 2/20 0.47
PTGS1 P23219 1/20 0.43
QPCT Q16769 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
GALR3 O60755 1/20 0.42
HTR7 P34969 1/20 0.42
NTRK1 P04629 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
EGFR P00533 1/20 0.40
PABPC1 P11940 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40

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
SCHEMBL1039296 0.82 ALDH1A1 (0.50) SMN1; SMN2MAPTLMNAALDH1A1TDP1
SCHEMBL1038045 0.81 LMNA (0.50) SMN1; SMN2MAPTLMNAALDH1A1TDP1
SCHEMBL29413720 0.80 ALDH1A1 (0.48) SMN1; SMN2MAPTLMNAALDH1A1TDP1
SCHEMBL1680278 0.80 ALDH1A1 (0.43) PTGS2SMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL23496291 0.80 ALDH1A1 (0.48) SMN1; SMN2MAPTLMNAALDH1A1TDP1
SCHEMBL3785560 0.79 TDP1 (0.44) SMN1; SMN2MAPTALDH1A1TDP1L3MBTL1
SCHEMBL1134846 0.79 F10 (0.48) SLC6A4SLC6A3PTGS2PTGS1SMN1; SMN2
SCHEMBL18238945 0.79 ABL1 (0.50) SMN1; SMN2MAPTLMNAALDH1A1TDP1
SCHEMBL6161978 0.79 IKBKB (0.41) STAT3SLC6A4SLC6A3PTGS2PTGS1
SCHEMBL27514133 0.79 MAPT (0.40) SMN1; SMN2MAPTLMNAALDH1A1TDP1

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-0755923-B1 Ameliorant or remedy for symptoms caused by Ischemic diseases and Phenylpiperidine compounds useful therefor DAIICHI SUNTORY PHARMA CO LTD (JP) 2005-05-04 EP disclosed
US-6469010-B1 COMPOSITION ALSO FOR ALLEVIATION OR TREATMENT OF SYMPTOMS DERIVED FROM SEIZURES, EPILEPSY AND MIGRAINE HEADACHES, AND SUPPRESSION OF CALCIUM ION OVERLOAD SUNTORY LIMITED (JP) 2002-10-22 US disclosed