SCHEMBL28890229

SCHEMBL28890229

O=C(CBr)CN1CCN(c2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
ALDH1A1 P00352 3/20 0.64
KDM4E B2RXH2 1/20 0.53
HTR1A P08908 1/20 0.53
HTR7 P34969 1/20 0.53
GFER P55789 1/20 0.52
POLB P06746 1/20 0.52
CHRNA7 P36544 1/20 0.51
USP2 O75604 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PKM P14618 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.51
DRD4 P21917 1/20 0.50
REV1 Q9UBZ9 1/20 0.50

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
SCHEMBL6070384 0.83 ALDH1A1 (0.64) MAPTALDH1A1KDM4EHTR1AHTR7
SCHEMBL6301694 0.82 MAPT (0.72) MAPTALDH1A1HTR1AHTR7GFER
Hydrochloric Acid SCHEMBL1374296 0.81 MAPT (0.70) MAPTALDH1A1KDM4EHTR1AHTR7
Hydrochloric Acid SCHEMBL11024728 0.81 MAPT (0.60) MAPTALDH1A1KDM4EHTR1AHTR7
SCHEMBL3709528 0.79 MAPT (0.68) MAPTALDH1A1KDM4EHTR1AHTR7
SCHEMBL4172010 0.79 MAPT (0.68) MAPTALDH1A1HTR1AHTR7GFER
SCHEMBL4172008 0.79 MAPT (0.68) MAPTALDH1A1HTR1AHTR7GFER
SCHEMBL4524807 0.78 MAPT (0.57) MAPTALDH1A1HTR1AHTR7GFER
SCHEMBL12297794 0.78 ALDH1A1 (0.57) MAPTALDH1A1KDM4EGFERTSHR
SCHEMBL351380 0.78 POLB (0.74) MAPTALDH1A1KDM4EHTR1APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111100079-B Febrifugine derivatives and preparation method and application thereof 重庆市畜牧科学院 2021-03-19 CN disclosed
CN-111100079-A Febrifugine derivatives and preparation method and application thereof 重庆市畜牧科学院 2020-05-05 CN disclosed