SCHEMBL22299409

SCHEMBL22299409

FC(F)(F)c1ccc(CNc2ccc3[nH]c(C4CC4)nc3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
FFAR1 O14842 1/20 0.39
PDE2A O00408 4/20 0.39
PDE9A O76083 2/20 0.38
GID4 Q8IVV7 1/20 0.38
NPY5R Q15761 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL5683328 0.80 NPY5R (0.48) TRPV1PDE2ANPY5R
SCHEMBL22299102 0.74 PPARG (0.46) TRPV1FFAR1MCHR1
SCHEMBL22299211 0.74 PPARG (0.46) TRPV1FFAR1MCHR1
SCHEMBL13256564 0.73 HTR2C (0.49) TRPV1NPY5R
SCHEMBL29500537 0.72 KDM4E (0.44) TRPV1GID4
SCHEMBL18537877 0.72 KDM4E (0.44) TRPV1GID4
Hydrochloric Acid SCHEMBL15310348 0.72 HTR2C (0.50) NPY5R
Dimethylamine SCHEMBL16741892 0.72 CYP2D6 (0.54) TRPV1PDE2AMCHR1
Dimethylamine SCHEMBL16741899 0.71 CYP2D6 (0.48) PDE2AMCHR1
SCHEMBL13122212 0.71 HDAC1 (0.54) TRPV1

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-2020157126-A1 MODULATORS OF POTASSIUM ION CHANNELS AND USES THEREOF Università degli Studi di Salerno (IT) 2020-08-06 WO disclosed