SCHEMBL5503801

SCHEMBL5503801

C=CCN1CCC(c2cccc(Cl)c2F)CC1.CCCN1CCC(c2cccc(Cl)c2F)CC1.CCN1CCC(c2cccc(Cl)c2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.46
SLC6A4 P31645 7/20 0.46
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
DRD3 P35462 3/20 0.38
HTR6 P50406 2/20 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
SCHEMBL5506480 0.95 DRD2 (0.42) DRD2SLC6A4ADRA2AADRA2BADRA2C
SCHEMBL5509179 0.94 ADRA2A (0.43) DRD2SLC6A4ADRA2AADRA2BADRA2C
SCHEMBL5506603 0.89 DRD2 (0.38) DRD2SLC6A4ADRA2AADRA2BADRA2C
SCHEMBL3768142 0.89 ADRA2A (0.48) DRD2SLC6A4ADRA2AADRA2BADRA2C
SCHEMBL5503228 0.88 DRD2 (0.43) DRD2SLC6A4DRD3HTR6
SCHEMBL5503775 0.88 DRD2 (0.43) DRD2SLC6A4DRD3HTR6
SCHEMBL3772530 0.87 DRD2 (0.58) DRD2SLC6A4DRD3
SCHEMBL3766154 0.85 MEN1 (0.45) DRD2SLC6A4DRD3HTR6
SCHEMBL5505004 0.84 DRD2 (0.41) DRD2SLC6A4ADRA2AADRA2BADRA2C
SCHEMBL5506620 0.84 DRD2 (0.44) DRD2SLC6A4DRD3HTR6

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-1768958-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2007-04-04 EP claimed
WO-2005121088-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 WO claimed