SCHEMBL5504352

SCHEMBL5504352

C=CCN1CCC(c2cccc(C#N)c2C#N)CC1.C=CCN1CCC(c2cccc(C#N)c2Cl)CC1.CCCN1CCC(c2cccc(C#N)c2Cl)CC1.CCN1CCC(c2cccc(C#N)c2C#N)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.41
SLC6A4 P31645 3/20 0.41
NOS3 P29474 3/20 0.39
NOS1 P29475 3/20 0.39
NOS2 P35228 3/20 0.39
DRD3 P35462 4/20 0.36
HTR6 P50406 2/20 0.36
HRH3 Q9Y5N1 1/20 0.35
DRD4 P21917 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL5505289 0.87 DRD2 (0.42) DRD2SLC6A4NOS3NOS1NOS2
SCHEMBL2781919 0.86 DRD2 (0.48) DRD2DRD3DRD4KDM4EMEN1
SCHEMBL2785380 0.85 DRD2 (0.49) DRD2DRD3DRD4KDM4EALDH1A1
SCHEMBL2782347 0.85 DRD2 (0.54) DRD2SLC6A4NOS3NOS1NOS2
SCHEMBL2780423 0.84 DRD2 (0.56) DRD2SLC6A4DRD3HTR6HRH3
SCHEMBL5501921 0.83 ADRA2A (0.41) DRD2SLC6A4NOS3NOS1NOS2
SCHEMBL3772743 0.82 NOS3 (0.46) DRD2SLC6A4NOS3NOS1NOS2
SCHEMBL2783316 0.81 DRD4 (0.46) DRD2SLC6A4NOS3NOS1NOS2
SCHEMBL5503078 0.78 DRD2 (0.34) DRD2SLC6A4NOS3NOS1NOS2
SCHEMBL5517963 0.78 DRD2 (0.36) DRD2SLC6A4NOS3NOS1NOS2

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-1773772-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2007-04-18 EP disclosed
WO-2005121087-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 WO disclosed