SCHEMBL7935372

SCHEMBL7935372

NC1C2=C(CCCC2)N(OCc2ccccc2F)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.36
SCN3A Q9NY46 2/20 0.34
HTR1A P08908 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 1/20 0.34
MAOB P27338 3/20 0.33
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
ALDH1A1 P00352 2/20 0.32
SPHK2 Q9NRA0 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31
HTR6 P50406 1/20 0.31
NPC1 O15118 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 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
SCHEMBL8020563 0.85 HTR1A (0.35) IDO1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL7935365 0.83 LTA4H (0.32) IDO1MAOBNPC1RAB9AKMT2A
SCHEMBL8013011 0.78 CHRM2 (0.31) ALDH1A1
SCHEMBL7944942 0.76 RET (0.35) SCN3AHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL7944450 0.75 ALOX12 (0.45)
Hydrochloric Acid SCHEMBL7946351 0.75
SCHEMBL7945043 0.69 AADAT (0.40)
SCHEMBL10403793 0.66 HTR2A (0.30)
SCHEMBL8013738 0.66 MGLL (0.36) ALDH1A1NPC1RAB9A
SCHEMBL2335384 0.63

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-6075144-A ABILITY TO INHIBIT ACETYLCHOLINESTERASE; TREATS ALZHEIMER,S DISEASE HOECHST MARION ROUSSEL, INC. (US) 2000-06-13 US claimed
US-6248750-B1 CHOLINERGIC FUNCTION AGONISTS FOR MEMORY ENHANCEMENT HOECHST ROUSSEL PHARMACEUTICALS 2001-06-19 US disclosed
US-6075144-A ABILITY TO INHIBIT ACETYLCHOLINESTERASE; TREATS ALZHEIMER,S DISEASE HOECHST MARION ROUSSEL, INC. (US) 2000-06-13 US disclosed