SCHEMBL6161224

SCHEMBL6161224

CNc1ccccc1-c1ccc(F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
ACHE P22303 3/20 0.39
MAOA P21397 1/20 0.39
MAPT P10636 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
EGFR P00533 1/20 0.38
PABPC1 P11940 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 3/20 0.36
KDM4E B2RXH2 2/20 0.36
RECQL P46063 2/20 0.36
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL8927888 0.78 MAPT (0.52) ACHEMAOAMAPTTDP1L3MBTL1
SCHEMBL23677719 0.77 MEN1 (0.37) CTSLCTSSCTSKMAPTTDP1
SCHEMBL14832986 0.74 CTSL (0.45) CTSLCTSSCTSKMAPTTDP1
SCHEMBL5716618 0.73 CTSL (0.44) CTSLCTSSCTSKALDH1A1TRPV3
SCHEMBL28984736 0.73 CYP1A2 (0.39) ACHEMAOAMAPTTDP1L3MBTL1
SCHEMBL4328219 0.72 CTSL (0.46) CTSLCTSSCTSKTRPV3
SCHEMBL7995306 0.72 ALDH1A1 (0.41) RAB9ASMN1; SMN2POLBKDM4EALDH1A1
Phenol SCHEMBL27620144 0.72 ALDH1A1 (0.41) MAPTTDP1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL1547937 0.70 MAPT (0.39) ACHEMAPTTDP1L3MBTL1RAB9A
SCHEMBL7710900 0.69 CTSL (0.45) CTSLCTSSCTSKMAPTL3MBTL1

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