SCHEMBL5495230

SCHEMBL5495230

OC1(CCCc2ccc(Cl)c(OC(F)(F)F)c2)CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
KCNH2 Q12809 4/20 0.37
GPR4 P46093 1/20 0.37
KDM4A O75164 2/20 0.37
KDM5A P29375 2/20 0.37
TACR1 P25103 1/20 0.37
NOTUM Q6P988 2/20 0.36
SIGMAR1 Q99720 2/20 0.34
REN P00797 2/20 0.34
TMEM97 Q5BJF2 1/20 0.34
KCNN4 O15554 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
PDE3A Q14432 1/20 0.33
MMP3 P08254 1/20 0.33
MMP10 P09238 1/20 0.33
FFAR4 Q5NUL3 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
SCHEMBL5498980 0.82 GPR84 (0.46) KCNH2GPR4TACR1
SCHEMBL5499307 0.81 SIGMAR1 (0.49) KCNH2GPR4SIGMAR1
SCHEMBL5500263 0.80 KCNH2 (0.41) KCNH2GPR4TACR1SIGMAR1REN
SCHEMBL5502520 0.78 KCNH2 (0.41) KCNH2GPR4TACR1SIGMAR1REN
SCHEMBL5495293 0.77 P2RX7 (0.38) KCNH2TACR1FFAR4
SCHEMBL5499921 0.74 IDO1 (0.43) SIGMAR1TRPV1
SCHEMBL7428659 0.73 TACR1 (0.42) EPHX1KCNH2GPR4TACR1
SCHEMBL5500050 0.73 KCNH2 (0.43) KCNH2GPR4TACR1REN
SCHEMBL5502120 0.73 SLC6A2 (0.38) KCNH2TACR1FFAR4
SCHEMBL5502309 0.73 KCNH2 (0.38) KCNH2GPR4TACR1REN

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