SCHEMBL5227625

SCHEMBL5227625

OC1CCN(C(c2ccc(-c3ccc(F)cc3)cc2)c2cn[nH]c2-c2ccccc2Cl)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.37
OPRK1 P41145 1/20 0.35
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
ACHE P22303 1/20 0.34
KCNH2 Q12809 2/20 0.33
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
HRH3 Q9Y5N1 5/20 0.33
P4HB P07237 1/20 0.33
ATM Q13315 1/20 0.32
TGFBR1 P36897 1/20 0.32
MAPK14 Q16539 1/20 0.32
HTR1A P08908 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
SCHEMBL5907357 0.86 HTR1A (0.39) HTR7OPRK1LMNAKMT2AHTR1A
SCHEMBL5228031 0.84 MAPK1 (0.40) HTR7OPRK1KCNH2PSEN1PSEN2
SCHEMBL2001557 0.80 KCNH2 (0.37) KMT2AKCNH2PSEN1PSEN2APH1B
SCHEMBL7256613 0.80 HTR1A (0.40) HTR7OPRK1LMNAKMT2AKCNH2
SCHEMBL5225734 0.79 GPR55 (0.39)
SCHEMBL2001021 0.79 LMNA (0.33) LMNAKCNH2PSEN1PSEN2APH1B
SCHEMBL2000118 0.74 KCNH2 (0.33) HTR7LMNAKCNH2PSEN1PSEN2
SCHEMBL2003026 0.73 GSK3B (0.33) HTR7LMNAMAPK14HTR1AHTR2B
SCHEMBL1999526 0.73 ROCK2 (0.39) OPRK1KMT2AACHEKCNH2P4HB
SCHEMBL5907264 0.72 CNR2 (0.41) HTR7ACHEHRH3P4HBHTR1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611122-B1 SUBSTITUTED PYRAZOLE COMPOUNDS MERCK PATENT GMBH (DE) 2007-06-13 EP disclosed