SCHEMBL6162708

SCHEMBL6162708

Cc1cc(-c2ccc(F)cc2)ccc1N1CCN(C)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
ALDH1A1 P00352 2/20 0.55
WDR5 P61964 2/20 0.49
AXL P30530 1/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.48
HRH4 Q9H3N8 2/20 0.47
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
MEN1 O00255 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 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
SCHEMBL14922277 0.86 ALDH1A1 (0.67) L3MBTL1ALDH1A1AXLLMNASMN1; SMN2
SCHEMBL6162084 0.83 HTR1A (0.57) LMNASMN1; SMN2GAAHTR3EHTR3B
SCHEMBL16387109 0.76 ALDH1A1 (0.62) L3MBTL1ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL6160264 0.76 MAPT (0.45) L3MBTL1ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL6160253 0.76 MAPT (0.45) L3MBTL1ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL7923952 0.75 HTR1A (0.58) ALDH1A1LMNASMN1; SMN2GAAHPGD
SCHEMBL6171198 0.75 DRD2 (0.71) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL6924885 0.74 ALDH1A1 (0.69) L3MBTL1ALDH1A1AXLLMNASMN1; SMN2
SCHEMBL6162560 0.73 DRD2 (0.45) LMNASMN1; SMN2GAA
SCHEMBL28905283 0.73 PTPN1 (0.41) L3MBTL1ALDH1A1HRH4KDM4EHTR3A

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 3 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
EP-0755923-A1 AMELIORANT OR REMEDY FOR SYMPTOMS CAUSED BY ISCHEMIC DISEASES AND COMPOUNDS USEFUL THEREFOR SUNTORY LIMITED (JP) 1997-01-29 EP disclosed