SCHEMBL9635256

SCHEMBL9635256

C1=C(CC2CCNCC2)Cc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.66
GBA1 P04062 1/20 0.50
SLC6A4 P31645 1/20 0.42
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 1/20 0.38
ADRA2A P08913 1/20 0.38
PREP P48147 1/20 0.36
KDM1A O60341 2/20 0.36
KDM1B Q8NB78 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
SCHEMBL5084593 0.83 ACHE (0.69) ACHEHTR1AHTR2AHTR7DRD3
SCHEMBL11231683 0.82 SLC6A4 (0.46) ACHEGBA1SLC6A4HTR1AHTR2A
SCHEMBL8267415 0.72 ACHE (0.61) ACHEGBA1SLC6A4HTR2AHTR2B
SCHEMBL1451967 0.70 ACHE (0.51) ACHEHTR1AHTR2AHTR7DRD3
SCHEMBL577446 0.70 HTR1A (0.57) ACHEHTR1AHTR2AHTR7DRD3
SCHEMBL8854199 0.69 ACHE (0.50) ACHEHTR1AHTR2AHTR7DRD3
SCHEMBL29262843 0.69 ACHE (0.51) ACHEHTR1AHTR2AHTR7DRD3
SCHEMBL9636847 0.68 GBA1 (0.50) GBA1SLC6A4HTR2AADRA2AKDM1A
SCHEMBL26042460 0.68 CRBN (0.57) ACHE
SCHEMBL6955357 0.68 ACHE (0.47) ACHEHTR1AHTR2AHTR7DRD3

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-5114949-A Treating disorders associated with 5HT uptake RHONE-POULENC SANTE (FR) 1992-05-19 US disclosed