SCHEMBL7694161

SCHEMBL7694161

CC1CC(O)CC(c2cccc(Cl)c2)N1C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.44
MAOB P27338 4/20 0.44
CHRNA7 P36544 1/20 0.41
RIPK1 Q13546 1/20 0.40
MDM2 Q00987 2/20 0.39
SLC9A1 P19634 1/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
PRKCZ Q05513 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL7694164 1.00 MAOA (0.44) MAOAMAOBCHRNA7RIPK1MDM2
SCHEMBL7590850 1.00 MAOA (0.44) MAOAMAOBCHRNA7RIPK1MDM2
Fumaric Acid SCHEMBL7594413 0.90 MAPT (0.40) MAOAMAOBCHRNA7RIPK1MDM2
Fumaric Acid SCHEMBL7594410 0.90 MAPT (0.40) MAOAMAOBCHRNA7RIPK1MDM2
Fumaric Acid SCHEMBL7590876 0.90 MAPT (0.40) MAOAMAOBCHRNA7RIPK1MDM2
SCHEMBL7590715 0.80 MAOA (0.44) MAOAMAOBCHRNA7RIPK1MDM2
SCHEMBL7590719 0.80 MAOA (0.44) MAOAMAOBCHRNA7RIPK1MDM2
Hydrochloric Acid SCHEMBL7590235 0.76 RIPK1 (0.44) MAOAMAOBCHRNA7RIPK1SLC9A1
Hydrochloric Acid SCHEMBL7590233 0.76 RIPK1 (0.44) MAOAMAOBCHRNA7RIPK1SLC9A1
SCHEMBL20187570 0.72 SLC6A2 (0.47) SLC9A1HTR2AHTR2CHTR2BALDH1A1

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
US-6451789-B1 CENTRAL NERVOUS SYSTEM DISORDERS; COGNITION ACTIVATORS LES LABORTOIRES SERVIER (FR) 2002-09-17 US disclosed
US-6323222-B1 COGNITION ACTIVATORS, ALZHEIMER*S DISEASE AND ENZYME INHIBITORS ADIR ET COMPAGNIE (FR) 2001-11-27 US disclosed