SCHEMBL30777987

SCHEMBL30777987

Clc1ccc2c(N3CCN(c4ccccc4Cl)CC3)noc2c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.48
HTR1A P08908 1/20 0.48
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
AVPR1A P37288 1/20 0.43
HTR7 P34969 8/20 0.42
HTR6 P50406 8/20 0.42
DRD2 P14416 5/20 0.42
RECQL P46063 1/20 0.40
ADRB1 P08588 1/20 0.40
CHRNA7 P36544 2/20 0.39
HTR3A P46098 2/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL23064293 1.00 HTR2A (0.48) HTR2AHTR1AKDM4EALDH1A1MAPT
SCHEMBL23074485 0.88 MAPT (0.46) HTR2AHTR1AKDM4EALDH1A1MAPT
SCHEMBL23064319 0.86 SORD (0.50) HTR2AHTR1AKDM4EALDH1A1MAPT
SCHEMBL30778007 0.86 SORD (0.50) HTR2AHTR1AKDM4EALDH1A1MAPT
SCHEMBL23064393 0.84 HTR7 (0.49) HTR2AHTR1AHTR7HTR6DRD2
SCHEMBL30778015 0.84 HTR7 (0.49) HTR2AHTR1AHTR7HTR6DRD2
SCHEMBL9035904 0.81 MAT2A (0.48) HTR2AHTR1AKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL9037461 0.80 MAT2A (0.47) HTR2AHTR1AKDM4EALDH1A1CHRNA7
SCHEMBL1840383 0.79 HRH4 (0.48) HTR2AHTR1AHTR7HTR6ADRB1
SCHEMBL13448295 0.78 HTT (0.54) HTR2AHTR1AKDM4EALDH1A1MAPT

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
CN-118678955-A Pharmaceutical composition for preventing and/or treating heart failure 国立大学法人大阪大学 2024-09-20 CN disclosed
CN-112204017-B Benzisoxazole compounds 国立大学法人大阪大学 2024-08-20 CN disclosed
CN-117580577-A Pharmaceutical composition for preventing and/or treating kidney injury and autophagy activator 国立大学法人大阪大学 2024-02-20 CN disclosed