SCHEMBL7972593

SCHEMBL7972593

O=C(NN1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)c1ccc(F)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
HSD17B10 Q99714 2/20 0.62
HPGD P15428 5/20 0.60
CYP2D6 P10635 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
TSHR P16473 2/20 0.55
GFER P55789 1/20 0.55
KMT2A Q03164 2/20 0.53
RAB9A P51151 2/20 0.53
LMNA P02545 2/20 0.53
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
PKM P14618 1/20 0.53

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
SCHEMBL108225 0.82 ALDH1A1 (0.90) ALDH1A1HSD17B10HPGDCYP2D6CYP1A2
SCHEMBL3104357 0.81 ALDH1A1 (0.77) ALDH1A1HSD17B10HPGDCYP2D6CYP1A2
SCHEMBL7968937 0.80 MAPT (0.64) ALDH1A1HSD17B10HPGDCYP2D6CYP1A2
SCHEMBL9185373 0.78 CYP2D6 (0.62) ALDH1A1CYP2D6KMT2AMEN1KDM4E
SCHEMBL7970388 0.78 CYP2D6 (0.62) ALDH1A1CYP2D6KMT2APOLBMEN1
SCHEMBL7975189 0.78 CYP2D6 (0.62) ALDH1A1CYP2D6KMT2APOLBMEN1
SCHEMBL9192739 0.78 TSHR (0.58) ALDH1A1HSD17B10HPGDCYP2D6TSHR
SCHEMBL7970184 0.77 CYP2D6 (0.61) ALDH1A1CYP2D6POLBKDM4E
SCHEMBL14817973 0.77 CYP2D6 (0.65) ALDH1A1HPGDCYP2D6KMT2ALMNA
SCHEMBL5970063 0.76 HPGD (1.00) ALDH1A1HSD17B10HPGDCYP2D6CYP1A2

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