SCHEMBL8004830

SCHEMBL8004830

NC1C2=C(CCCC2)N(OCc2ccc(Cl)cc2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNA5 P22460 1/20 0.33
IDO1 P14902 2/20 0.33
AGXT P21549 2/20 0.33
HPGD P15428 1/20 0.32
P2RX4 Q99571 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
DRD2 P14416 2/20 0.31
DRD4 P21917 2/20 0.31

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
SCHEMBL7935365 0.91 LTA4H (0.32) KMT2AMEN1MAPTL3MBTL1IDO1
SCHEMBL8020563 0.88 HTR1A (0.35) KMT2AMEN1MAPTGAASLC6A2
SCHEMBL7935372 0.80 IDO1 (0.36) KMT2ASLC6A2SLC6A4SLC6A3IDO1
SCHEMBL8013011 0.79 CHRM2 (0.31) MAPTGAAPOLBL3MBTL1DRD2
SCHEMBL7944942 0.77 RET (0.35) MAPTSLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL7944450 0.76 ALOX12 (0.45) DRD2DRD4
Hydrochloric Acid SCHEMBL7946351 0.76
SCHEMBL7946306 0.74 HRH3 (0.34)
SCHEMBL7945043 0.69 AADAT (0.40)
SCHEMBL10403793 0.67 HTR2A (0.30)

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-6075144-A ABILITY TO INHIBIT ACETYLCHOLINESTERASE; TREATS ALZHEIMER,S DISEASE HOECHST MARION ROUSSEL, INC. (US) 2000-06-13 US claimed