SCHEMBL8700872

SCHEMBL8700872

CCOC(=O)C(Cc1ccc(CN2CCCCCC2)s1)N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL8697759 0.78 HRH3 (0.45) HRH3SMN1; SMN2HSD17B10ALDH1A1KDM4E
SCHEMBL9033194 0.78 HRH3 (0.45) HRH3SMN1; SMN2HSD17B10ALDH1A1KDM4E
SCHEMBL9033398 0.77 SLC6A3 (0.42) ALDH1A1
SCHEMBL8177110 0.76 HRH3 (0.55) HRH3SMN1; SMN2HSD17B10ALDH1A1KDM4E
SCHEMBL22916606 0.74 RAB9A (0.56) HSD17B10ALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL9033441 0.74 HRH3 (0.43) HRH3SMN1; SMN2HSD17B10ALDH1A1KDM4E
SCHEMBL8702739 0.73 HRH3 (0.45) HRH3SMN1; SMN2ALDH1A1KDM4EL3MBTL1
SCHEMBL28046877 0.72 L3MBTL1 (0.46) HRH3HSD17B10ALDH1A1L3MBTL1MAPT
SCHEMBL9033054 0.72 HRH3 (0.44) HRH3SMN1; SMN2HSD17B10ALDH1A1KDM4E
SCHEMBL9032686 0.72 HRH3 (0.41) HRH3SMN1; SMN2HSD17B10ALDH1A1KDM4E

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
US-5834460-A FOR TREATMENT OF BRAIN OR PSYCHOLOGICAL DISORDERS, ALZHEIMER*S DISEASE, MENTAL RETARDATION OR AUTISM YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-11-10 US disclosed
EP-0696586-A1 SERINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed