SCHEMBL8974394

SCHEMBL8974394

CC[CH]C(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
TAAR1 Q96RJ0 4/20 0.39
HTR2A P28223 4/20 0.39
HRH1 P35367 3/20 0.39
TRPA1 O75762 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
SIGMAR1 Q99720 1/20 0.36
MIF P14174 1/20 0.36
TP53 P04637 1/20 0.36
DPP4 P27487 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
SCHEMBL3534814 0.81 LMNA (0.46) LMNATAAR1HTR2AHRH1TRPA1
SCHEMBL10343902 0.78 TAAR1 (0.48) LMNATAAR1HTR2AHRH1DPP4
SCHEMBL21625270 0.78 AOC3 (0.42) LMNATAAR1HTR2AHRH1TRPA1
SCHEMBL10584516 0.76 AOC3 (0.39) LMNA
SCHEMBL6946458 0.76 LMNA (0.41) LMNATAAR1HTR2AHRH1TRPA1
SCHEMBL18929946 0.76 TSHR (0.44) LMNATAAR1HTR2AHRH1TRPA1
SCHEMBL8705936 0.76 ESR1 (0.52) LMNATAAR1HTR2ATDP1TP53
SCHEMBL5304483 0.76 DPP4 (0.44) LMNATAAR1HTR2ADPP4
SCHEMBL27310163 0.76 LMNA (0.52) LMNATRPA1
SCHEMBL10698044 0.75 TAAR1 (0.50) TAAR1HTR2AHRH1DPP4

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 7 patents. 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
EP-0543919-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES. SEARLE & CO (US) 1993-06-02 EP claimed
WO-1992003131-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES G.D. SEARLE & CO. (US) 1992-03-05 WO claimed
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 disclosed
US-5462965-A Use of heterocyclic amino-alcohol compounds for treatment of CNS diseases GD SEARLE & CO. (US) 1995-10-31 US disclosed
EP-0543919-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES. SEARLE & CO (US) 1993-06-02 EP disclosed
WO-1992003131-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES G.D. SEARLE & CO. (US) 1992-03-05 WO disclosed