SCHEMBL5503101

SCHEMBL5503101

CCCN1CCC(O)(c2ccc(C#N)c(Cl)c2)CC1.CCN1CCC(O)(c2ccc(C#N)c(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 12/20 0.46
AR P10275 4/20 0.46
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
CCR3 P51677 1/20 0.42

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
SCHEMBL3853342 0.96 CCR1 (0.48) CCR1ARCCR3
SCHEMBL3850884 0.94 AR (0.50) CCR1ARNOS3NOS1NOS2
SCHEMBL5511464 0.82 CCR1 (0.42) CCR1
SCHEMBL3856508 0.82 CCR1 (0.46) CCR1AR
SCHEMBL3860327 0.81 DRD2 (0.57) CCR1CCR3
SCHEMBL3854368 0.79 AR (0.42) CCR1ARNOS3NOS1NOS2
SCHEMBL3854549 0.79 OPRM1 (0.48) CCR1AR
SCHEMBL3852309 0.78 DRD2 (0.54) CCR1
SCHEMBL3851778 0.78 DRD2 (0.52) CCR1
SCHEMBL3859083 0.76 CCR1 (0.44) CCR1

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