SCHEMBL5502040

SCHEMBL5502040

CCN1CCC(C2=C(F)[CH]CC=C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HRH3 Q9Y5N1 3/20 0.33
SLC18A3 Q16572 1/20 0.33
HTR1F P30939 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
DRD2 P14416 1/20 0.31
PARP1 P09874 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5505978 0.81 HRH1 (0.41) SLC18A3DRD2ALDH1A1
SCHEMBL4972910 0.79
SCHEMBL6991321 0.65 DRD2 (0.53) RECQLSLC18A3DRD2
SCHEMBL6926444 0.64 ABCB1 (0.49) KDM4ESLC18A3DRD2PARP1ALDH1A1
SCHEMBL6926358 0.62 DRD2 (0.40) KDM4EHRH3KMT2ADRD2PARP1
SCHEMBL8043820 0.62 DRD2 (0.54) KDM4EHRH3SLC18A3KMT2ADRD2
SCHEMBL26157325 0.61 DRD2 (0.42) HRH3SLC18A3DRD2
SCHEMBL13843096 0.61 DRD2 (0.50) HRH3DRD2
SCHEMBL3769797 0.60 DRD2 (0.46) KDM4EHRH3KMT2ADRD2
SCHEMBL6924461 0.60 KDM4E (0.51) KDM4EL3MBTL1DRD2

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