SCHEMBL4776176

SCHEMBL4776176

Fc1ccc(C(F)(F)F)cc1N1CC2C(C1)C2N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.40
UBE2M P61081 3/20 0.38
DCUN1D1 Q96GG9 3/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A3 Q01959 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
S1PR5 Q9H228 3/20 0.36
S1PR1 P21453 2/20 0.36
GRK5 P34947 1/20 0.36
CDK8 P49336 1/20 0.36
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
BACE1 P56817 2/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR1A P08908 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL4779787 0.83 FFAR4 (0.38) FFAR4UBE2MDCUN1D1MEN1KMT2A
SCHEMBL4780326 0.82 CHRM4 (0.40) UBE2MDCUN1D1SLC6A2SLC6A3SLC6A4
SCHEMBL4778369 0.82 NOTUM (0.40) MEN1KMT2A
SCHEMBL4780839 0.81 SLC6A2 (0.44) SLC6A2BCHEACHEBACE1CHRM2
SCHEMBL4779536 0.79 DRD2 (0.32)
SCHEMBL4774338 0.79 DRD2 (0.32)
SCHEMBL4781028 0.79 KDM4E (0.43) KMT2A
SCHEMBL4321609 0.78 GRM5 (0.42) MEN1KMT2ABCHEACHEBACE1
SCHEMBL4779453 0.77 NOTUM (0.46) UBE2MDCUN1D1MEN1KMT2A
SCHEMBL4780332 0.76 CHRM4 (0.38) UBE2MDCUN1D1SLC6A3MEN1KMT2A

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
WO-2008010061-A2 3-AZABICYCLO [3.1.0] HEXANE VANILLOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-24 WO disclosed