SCHEMBL22299102

SCHEMBL22299102

CCCCCCCCCCCc1nc2cc(NCc3ccc(C(F)(F)F)cc3)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
MCHR1 Q99705 2/20 0.41
NTRK1 P04629 1/20 0.40
NTRK2 Q16620 1/20 0.40
FFAR1 O14842 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
KCNQ4 P56696 1/20 0.38
KCNQ5 Q9NR82 1/20 0.38
CRHR1 P34998 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
SCHEMBL22299211 1.00 PPARG (0.46) PPARGPPARAMCHR1NTRK1NTRK2
SCHEMBL2364109 0.81 POLB (0.45)
SCHEMBL28878992 0.75 POLB (0.50)
SCHEMBL22299409 0.74 ADORA1 (0.43) MCHR1FFAR1TRPV1
SCHEMBL11973911 0.73 PDE10A (0.47) NTRK1NTRK2TRPV1
SCHEMBL11904599 0.72 PDE10A (0.47) TRPV1
SCHEMBL8594366 0.71 POLB (0.51)
SCHEMBL12348255 0.71 S1PR4 (0.49)
SCHEMBL9721008 0.70 KMT2A (0.60)
SCHEMBL2679457 0.70 KMT2A (0.60)

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