SCHEMBL8975327

SCHEMBL8975327

C#CCC(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.46
TAAR1 Q96RJ0 1/20 0.46
HRH1 P35367 5/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
DPP4 P27487 2/20 0.38
F2 P00734 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
TSHR P16473 1/20 0.38
MTOR P42345 1/20 0.37
RAB9A P51151 1/20 0.37
GRM7 Q14831 1/20 0.37

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
SCHEMBL3211981 0.78 HTR2A (0.36) HTR2ATAAR1HRH1DPP4F2
SCHEMBL1129056 0.78 TAAR1 (0.52) TAAR1TSHR
SCHEMBL29936912 0.78 TRPA1 (0.41) HTR2ATAAR1HRH1DPP4F2
SCHEMBL2486698 0.78 MAPT (0.36) HTR2ATAAR1MEN1KMT2AALDH1A1
SCHEMBL16426370 0.78 HTR2A (0.36) HTR2ATAAR1HRH1DPP4F2
SCHEMBL610027 0.78 LMNA (0.52) KMT2AKDM4ELMNATSHRRAB9A
SCHEMBL15195448 0.78 LMNA (0.52) KMT2AKDM4ELMNATSHRRAB9A
SCHEMBL8535055 0.78 SCN4A (0.45) HTR2ATAAR1DPP4F2
SCHEMBL1120259 0.78 SCN4A (0.45) HTR2ATAAR1DPP4F2
Hydrochloric Acid SCHEMBL8534949 0.77 SCN4A (0.44) HTR2ATAAR1DPP4F2

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
EP-0543919-B1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS IN THE MANUFACTURE OF A MEDICAMENT FOR TREATMENT OF CNS DISEASES SEARLE & CO (US) 1996-04-10 EP claimed