SCHEMBL5499307

SCHEMBL5499307

OC1(CCCc2ccc(Cl)c(Cl)c2)CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.49
IGF1R P08069 1/20 0.46
ALOX15 P16050 1/20 0.46
SLC6A2 P23975 8/20 0.44
SLC6A4 P31645 8/20 0.44
GPR4 P46093 1/20 0.43
KCNH2 Q12809 1/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
PNMT P11086 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
PYGL P06737 1/20 0.40

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
SCHEMBL5499282 0.91 SIGMAR1 (0.51) SIGMAR1IGF1RALOX15SLC6A2SLC6A4
SCHEMBL5500263 0.87 KCNH2 (0.41) SIGMAR1IGF1RALOX15SLC6A2SLC6A4
SCHEMBL5502520 0.87 KCNH2 (0.41) SIGMAR1IGF1RALOX15SLC6A2SLC6A4
SCHEMBL5498980 0.84 GPR84 (0.46) SLC6A2SLC6A4GPR4KCNH2
SCHEMBL15537060 0.81 SLC6A2 (0.49) SIGMAR1SLC6A2SLC6A4KCNH2PRMT5
SCHEMBL5495230 0.81 EPHX1 (0.39) SIGMAR1GPR4KCNH2
SCHEMBL5500050 0.79 KCNH2 (0.43) GPR4KCNH2
SCHEMBL7492020 0.78 SLC6A4 (0.50) SIGMAR1SLC6A2SLC6A4GPR4KCNH2
Hydrochloric Acid SCHEMBL7983042 0.78 KCNH2 (0.42) GPR4KCNH2
SCHEMBL5500258 0.78 SIGMAR1 (0.38) SIGMAR1SLC6A2SLC6A4KCNH2

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
EP-1765779-A1 NEW SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2007-03-28 EP disclosed
WO-2005121092-A1 NEW SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 WO disclosed