SCHEMBL5502120

SCHEMBL5502120

OC1(CCCc2cccc(OC(F)(F)F)c2F)CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.38
SLC6A4 P31645 6/20 0.38
KCNH2 Q12809 4/20 0.38
CYP2D6 P10635 3/20 0.38
SLC6A3 Q01959 2/20 0.38
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
HTR2A P28223 1/20 0.34
FFAR4 Q5NUL3 2/20 0.33
ROCK2 O75116 1/20 0.33
TACR1 P25103 2/20 0.33
GRIA1 P42261 1/20 0.32
CACNG8 Q8WXS5 1/20 0.32

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
SCHEMBL5495293 0.87 P2RX7 (0.38) SLC6A2SLC6A4KCNH2CYP2D6SLC6A3
SCHEMBL5499016 0.83 KCNH2 (0.38) SLC6A2SLC6A4KCNH2CYP2D6SLC6A3
SCHEMBL2785289 0.81 FFAR4 (0.43) SLC6A2SLC6A4HTR2CFFAR4TACR1
SCHEMBL4390004 0.81 FFAR4 (0.39) SLC6A2SLC6A4KCNH2SLC6A3HTR2C
SCHEMBL5493839 0.80 P2RX7 (0.39) SLC6A2SLC6A4KCNH2CYP2D6SLC6A3
SCHEMBL5493818 0.79 FFAR4 (0.41) SLC6A2SLC6A4KCNH2SLC6A3HTR2C
SCHEMBL5499046 0.79 CCR1 (0.38) SLC6A2SLC6A4CYP2D6SLC6A3HTR2B
SCHEMBL5499100 0.77 KCNH2 (0.41) SLC6A2SLC6A4KCNH2CYP2D6HTR2C
SCHEMBL5494489 0.76 SLC6A2 (0.40) SLC6A2SLC6A4KCNH2CYP2D6SLC6A3
SCHEMBL5499363 0.74 TACR1 (0.43) SLC6A2SLC6A4SLC6A3HTR2CFFAR4

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 4 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
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
WO-2005121087-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 WO disclosed