SCHEMBL5503228

SCHEMBL5503228

C=CCN1CCC(c2cccc(F)c2Cl)CC1.C=CCN1CCC(c2cccc(F)c2F)CC1.CCCN1CCC(c2cccc(F)c2Cl)CC1.CCCN1CCC(c2cccc(F)c2F)CC1.CCN1CCC(c2cccc(F)c2Cl)CC1.CCN1CCC(c2cccc(F)c2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.43
SLC6A4 P31645 6/20 0.43
RBP4 P02753 2/20 0.41
SIGMAR1 Q99720 1/20 0.36
DRD3 P35462 3/20 0.35
HTR6 P50406 2/20 0.35
CXCR2 P25025 1/20 0.35

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
SCHEMBL5503775 1.00 DRD2 (0.43) DRD2SLC6A4RBP4SIGMAR1DRD3
SCHEMBL5503809 0.91 RBP4 (0.46) DRD2SLC6A4RBP4DRD3HTR6
SCHEMBL5506620 0.89 DRD2 (0.44) DRD2SLC6A4SIGMAR1DRD3HTR6
SCHEMBL5503801 0.88 DRD2 (0.46) DRD2SLC6A4DRD3HTR6
SCHEMBL3774468 0.85 OPRL1 (0.43) DRD2RBP4SIGMAR1
SCHEMBL3765905 0.84 DRD2 (0.58) DRD2SLC6A4RBP4DRD3HTR6
SCHEMBL5506480 0.83 DRD2 (0.42) DRD2SLC6A4DRD3HTR6
SCHEMBL3766106 0.82 SIGMAR1 (0.44) DRD2SLC6A4SIGMAR1DRD3
SCHEMBL5530418 0.82 DRD2 (0.43) DRD2SLC6A4SIGMAR1DRD3HTR6
SCHEMBL5502949 0.82 RBP4 (0.38) RBP4DRD3CXCR2

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