SCHEMBL5495293

SCHEMBL5495293

OC1(CCCc2cccc(OC(F)(F)F)c2Cl)CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.38
SLC6A2 P23975 10/20 0.36
SLC6A4 P31645 6/20 0.36
KCNH2 Q12809 4/20 0.36
CYP2D6 P10635 3/20 0.36
SLC6A3 Q01959 2/20 0.35
TACR1 P25103 2/20 0.34
GRIA1 P42261 3/20 0.33
CACNG8 Q8WXS5 3/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CACNG2 Q9Y698 1/20 0.33
FFAR4 Q5NUL3 2/20 0.32
CCR1 P32246 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
SCHEMBL5493839 0.93 P2RX7 (0.39) P2RX7SLC6A2SLC6A4KCNH2CYP2D6
SCHEMBL5502120 0.87 SLC6A2 (0.38) SLC6A2SLC6A4KCNH2CYP2D6SLC6A3
SCHEMBL5495138 0.84 KCNH2 (0.37) P2RX7SLC6A2SLC6A4KCNH2CYP2D6
SCHEMBL5500092 0.82 FFAR4 (0.43) P2RX7SLC6A2SLC6A4KCNH2TACR1
SCHEMBL5499318 0.80 KCNH2 (0.33) P2RX7SLC6A2SLC6A4KCNH2CYP2D6
SCHEMBL5500299 0.80 TAAR1 (0.42) SLC6A2SLC6A4KCNH2CYP2D6SLC6A3
SCHEMBL5495230 0.77 EPHX1 (0.39) KCNH2TACR1FFAR4
SCHEMBL5501435 0.76 KCNH2 (0.38) P2RX7SLC6A2SLC6A4KCNH2CYP2D6
SCHEMBL5493818 0.75 FFAR4 (0.41) SLC6A2SLC6A4KCNH2SLC6A3TACR1
SCHEMBL5499300 0.74 SLC6A2 (0.45) P2RX7SLC6A2SLC6A4KCNH2TACR1

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