SCHEMBL7968909

SCHEMBL7968909

COC(=O)c1ccc(C(=O)NN2CCN(C(C)=O)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.50
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
ALOX15 P16050 1/20 0.46
MGLL Q99685 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.44
HTT P42858 1/20 0.44
EP300 Q09472 1/20 0.44
CREBBP Q92793 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL7972315 0.87 ALDH1A1 (0.52) CYP2D6MAPTGAAALDH1A1HPGD
SCHEMBL8018069 0.84 CYP2D6 (0.53) CYP2D6MAPTGAAALDH1A1HPGD
SCHEMBL7972839 0.84 CYP2D6 (0.53) CYP2D6MAPTGAAALDH1A1HPGD
SCHEMBL194951 0.83 CYP2D6 (0.72) CYP2D6MAPTGAAALDH1A1HPGD
SCHEMBL14590778 0.83 HTT (0.65) CYP2D6MAPTGAAHTTSMN1; SMN2
SCHEMBL7969951 0.82 CYP2D6 (0.62) CYP2D6MAPTALDH1A1HPGDLMNA
SCHEMBL7975166 0.82 EPHX2 (0.51) CYP2D6GAA
Water SCHEMBL3089403 0.82 CYP2D6 (0.70) CYP2D6MAPTGAAALDH1A1HPGD
SCHEMBL17559346 0.81 HPGD (0.61) ALDH1A1HPGDALOX15MGLLHSD17B10
SCHEMBL7970177 0.81 PLK1 (0.50) CYP2D6MAPTGAAALDH1A1HPGD

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
US-6291464-B1 POTENTIATION OF THE CHOLINERGIC ACTIVITY; THERAPEUTIC TREATMENT OF AMNESIA, DEMENTIA OR SENILE DEMENTIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-18 US disclosed
EP-0968201-A2 NEW AMINOPIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-01-05 EP disclosed
WO-1998035951-A2 NEW AMINOPIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-08-20 WO disclosed