SCHEMBL11114528

SCHEMBL11114528

O=C1[C@H]2CC=CC[C@H]2C(=O)N1CC(O)CN1CCN(c2ncccn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.50
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
DRD2 P14416 2/20 0.42
DRD4 P21917 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL11101350 0.95 HTR1A (0.49) HTR1AKDM4EALDH1A1HPGDHSD17B10
Maleic Acid SCHEMBL11109374 0.92 HTR1A (0.45) HTR1AKDM4EALDH1A1HPGDHSD17B10
Maleic Acid SCHEMBL11110905 0.89 HTR1A (0.44) HTR1AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11106525 0.88 HTR1A (0.53) HTR1AKDM4EDRD2DRD4
SCHEMBL11110454 0.87 ALDH1A1 (0.60) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL11106065 0.83 ALDH1A1 (0.56) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL11113868 0.82 KDM4E (0.42) HTR1AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11102699 0.81 ADRA2A (0.57) HTR1AKDM4EALDH1A1HPGDDRD2
Maleic Acid SCHEMBL11114268 0.81 HTR1A (0.47) HTR1AKDM4EALDH1A1DRD2DRD4
SCHEMBL11108406 0.81 HTR1A (0.48) HTR1ADRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4479954-A ANTIDIABETIC AGENTS EISAI CO., LTD. (JP) 1984-10-30 US disclosed