SCHEMBL4986258

SCHEMBL4986258

O=C(NCC1CC1)Nc1ccc(N2CCN(C(=O)c3c(F)cccc3F)CC2)nn1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD O00767 8/20 0.48
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.40
TRPA1 O75762 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 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
SCHEMBL4985903 0.92 SCD (0.49) SCD
SCHEMBL936926 0.90 SCD (0.57) SCDALDH1A1KDM4E
SCHEMBL936236 0.84 SCD (0.57) SCD
SCHEMBL936617 0.83 SCD (0.50) SCDALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL939274 0.81 SCD (0.65) SCD
SCHEMBL4986244 0.79 SCD (0.67) SCD
SCHEMBL1376761 0.78 SCD (0.59) SCD
SCHEMBL1379527 0.77 SCD (0.77) SCD
SCHEMBL2466037 0.74 SCD (0.56) SCD
SCHEMBL936658 0.73 SCD (0.75) SCD

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