SCHEMBL2359698

SCHEMBL2359698

O=[C]C1CC1c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.46
CHRNB2 P17787 2/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNA7 P36544 2/20 0.43
CHRNA4 P43681 2/20 0.43
TMEM97 Q5BJF2 2/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2C P18825 1/20 0.43
AR P10275 9/20 0.36
FFAR1 O14842 1/20 0.36
ABCC9 O60706 2/20 0.35
ABCC8 Q09428 2/20 0.35
KCNJ11 Q14654 2/20 0.35
KCNJ8 Q15842 2/20 0.35
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
TAS1R2 Q8TE23 2/20 0.35
NOTUM Q6P988 1/20 0.35
CHRM2 P08172 1/20 0.33

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
SCHEMBL2320344 0.78 SLC6A2 (0.40) KDM1AABCC9ABCC8KCNJ11KCNJ8
SCHEMBL23993641 0.77 KDM1A (0.51) KDM1ACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL28294840 0.77 KDM1A (0.51) KDM1ACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL2359699 0.75 KDM1A (0.46) KDM1ACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL2326665 0.74 SLC6A2 (0.42) KDM1ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL29239984 0.74 EPHX2 (0.48) KDM1ACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL29239985 0.74 EPHX2 (0.48) KDM1ACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL30946764 0.74 EPHX2 (0.48) KDM1ACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL30641943 0.73 SLC9A1 (0.48) KDM1ACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL2360387 0.72 KDM1A (0.52) KDM1AHTR2AHTR2CHTR2B

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-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO disclosed