SCHEMBL4981909

SCHEMBL4981909

O=C(O)c1ccc(N2CCN(Cc3ccc(C(F)(F)F)cc3Cl)CC2)nn1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.50
ACHE P22303 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
MGLL Q99685 4/20 0.41
ABHD6 Q9BV23 2/20 0.41
CYP2D6 P10635 1/20 0.41
PLA2G7 Q13093 1/20 0.41
CASP1 P29466 1/20 0.40
CASP4 P49662 1/20 0.40
CASP5 P51878 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40

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
SCHEMBL936802 0.86 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTCYP2D6
SCHEMBL937533 0.86 SIGMAR1 (0.52) ALDH1A1MAPTTSHR
SCHEMBL937341 0.81 FAAH (0.50) FAAHMGLL
SCHEMBL937262 0.80 SCD (0.49) FAAHMEN1KMT2AMGLL
SCHEMBL936748 0.79 MGLL (0.46) FAAHMGLL
SCHEMBL936764 0.78 KDM4E (0.56) MEN1KMT2AALDH1A1
SCHEMBL936973 0.78 SCD (0.49) FAAHMEN1KMT2AALDH1A1
SCHEMBL20566996 0.76 FAAH (0.78) FAAHMGLL
SCHEMBL937146 0.75 DRD4 (0.50) KMT2AALDH1A1MAPTCASP1CASP4
SCHEMBL993579 0.74 NPSR1 (0.56) MEN1KMT2AALDH1A1MAPTTSHR

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
US-7335658-B2 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2008-02-26 US claimed