SCHEMBL8553021

SCHEMBL8553021

O=[N+]([O-])c1ccc(NCC23CCCN2CCC3)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
THRB P10828 1/20 0.52
RAB9A P51151 1/20 0.49
MAPT P10636 4/20 0.49
TP53 P04637 1/20 0.47
GAA P10253 2/20 0.43
FKBP1A P62942 1/20 0.43
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTPRF P10586 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN11 Q06124 1/20 0.41
CHRNA7 P36544 1/20 0.41
ALOX5 P09917 1/20 0.41

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
SCHEMBL8967906 0.87 ICMT (0.46) LMNATHRBRAB9AMAPTGAA
SCHEMBL8967712 0.73 MAPT (0.47) LMNATHRBRAB9AMAPTTP53
SCHEMBL8968125 0.71 MAPT (0.51) LMNATHRBRAB9AMAPTTP53
SCHEMBL3585157 0.70 HRH3 (0.60) LMNAMAPTGAAFKBP1AALDH1A1
SCHEMBL9003269 0.69 MAPT (0.70) RAB9AMAPTGAAALDH1A1RECQL
SCHEMBL4955548 0.69 MAPT (0.70) MAPTALDH1A1RECQLHSD17B10PTPRF
SCHEMBL3271959 0.69 HRH3 (0.59) LMNAMAPTGAAFKBP1AALDH1A1
SCHEMBL3995356 0.68 HRH3 (0.57) LMNAMAPTGAAALDH1A1POLB
SCHEMBL11194633 0.67 MAPT (0.61) RAB9AMAPTGAAALDH1A1RECQL
SCHEMBL5451069 0.67 KMT2A (0.61) LMNAMAPTALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543307-B1 Nootropic agent SANWA KAGAKU KENKYUSHO CO (JP) 1998-05-06 EP claimed
US-5434165-A Nootropic agents, compositions of, and method of use thereof SANAWA KAGAKU KENKYUSHO COMPANY, LTD. (JP) 1995-07-18 US claimed
EP-0543307-B1 Nootropic agent SANWA KAGAKU KENKYUSHO CO (JP) 1998-05-06 EP disclosed
US-5434165-A Nootropic agents, compositions of, and method of use thereof SANAWA KAGAKU KENKYUSHO COMPANY, LTD. (JP) 1995-07-18 US disclosed
EP-0543307-A2 Nootropic agent SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1993-05-26 EP disclosed