SCHEMBL4753167

SCHEMBL4753167

Fc1ccccc1C1CO[CH]CO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.43
KDM1B Q8NB78 1/20 0.43
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
CYP19A1 P11511 1/20 0.36
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
TSHR P16473 2/20 0.33
HTR6 P50406 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
BACE1 P56817 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL4304424 0.82 KDM1A (0.48) KDM1AKDM1BHTR2CHTR2BCYP19A1
SCHEMBL29749063 0.82 KDM1A (0.48) KDM1AKDM1BHTR2CHTR2BCYP19A1
SCHEMBL30370466 0.82 KDM1A (0.48) KDM1AKDM1BHTR2CHTR2BCYP19A1
SCHEMBL937009 0.82 KDM1A (0.48) KDM1AKDM1BHTR2CHTR2BCYP19A1
SCHEMBL4753990 0.79 HTR2A (0.41) KDM1AHTR2CHTR2BTSHRHTR6
SCHEMBL4750478 0.79 HTR2C (0.42) KDM1AHTR2CHTR2BGAATSHR
SCHEMBL3630441 0.73 TSHR (0.64) KDM1AHTR2CHTR2BTSHRHSD17B10
SCHEMBL28759921 0.71 KDM1A (0.45) KDM1AKDM1BHTR2CHTR2BCYP19A1
SCHEMBL11358035 0.69 KDM1A (0.41) KDM1AKDM1BHTR2CHTR2BCYP19A1
SCHEMBL28204861 0.68 HTR2C (0.41) KDM1AKDM1BHTR2CHTR2BCYP19A1

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
WO-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 WO disclosed