SCHEMBL7944942

SCHEMBL7944942

CN(C)CCON1C2=C(CCCC2)C(N)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.35
HTR3E A5X5Y0 2/20 0.34
HTR3B O95264 2/20 0.34
HTR3A P46098 2/20 0.34
HTR3D Q70Z44 2/20 0.34
HTR3C Q8WXA8 2/20 0.34
LMNA P02545 3/20 0.32
MAPT P10636 3/20 0.32
HTR2A P28223 3/20 0.32
HRH1 P35367 3/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 2/20 0.32
DRD2 P14416 2/20 0.32
HTR2C P28335 2/20 0.32
ADRA1A P35348 2/20 0.32
SLC6A4 P31645 2/20 0.32
HTR7 P34969 2/20 0.32
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
CACNA1F O60840 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
SCHEMBL8014304 0.93 HTR2A (0.36) RETHTR3EHTR3BHTR3AHTR3D
SCHEMBL7935365 0.80 LTA4H (0.32) MAPTHTR2CHTR2BLTA4H
SCHEMBL7944450 0.80 ALOX12 (0.45) DRD2DRD4DRD3SMN1; SMN2LTA4H
Hydrochloric Acid SCHEMBL7946351 0.79
SCHEMBL7946306 0.78 HRH3 (0.34) HTR2AHRH1
SCHEMBL8014096 0.78 ALDH1A1 (0.43) LMNAALDH1A1KDM4EADRA1ACHRM5
SCHEMBL7935372 0.76 IDO1 (0.36) ALDH1A1SLC6A4HTR1ASLC6A2HTR6
SCHEMBL8013011 0.75 CHRM2 (0.31) MAPTALDH1A1KDM4EDRD2CHRM2
SCHEMBL10403793 0.71 HTR2A (0.30) HTR2A
SCHEMBL7945043 0.70 AADAT (0.40) HTR2A

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 4 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
EP-0288852-B1 9-HYDROXYAMINO TETRAHYDRO-ACRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-07-28 EP disclosed