SCHEMBL20274141

SCHEMBL20274141

O=C(CO)N1CCN(c2nc3cc(C(F)(F)F)ccc3s2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.52
NPC1 O15118 7/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
MAPK1 P28482 1/20 0.50
TP53 P04637 1/20 0.49
PPARG P37231 1/20 0.48
PPARD Q03181 1/20 0.48
PPARA Q07869 1/20 0.48
DYRK1A Q13627 1/20 0.46

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
SCHEMBL23657771 0.86 RAB9A (0.59) RAB9ANPC1MAPTLMNAPPARG
SCHEMBL20274221 0.84 DYRK1A (0.46) RAB9ADYRK1A
SCHEMBL20274125 0.82 AKR1B1 (0.53) DYRK1A
SCHEMBL20274202 0.80 AKR1B1 (0.50) MAPTLMNADYRK1A
SCHEMBL8514231 0.77 SCN4A (0.57) RAB9ANPC1MAPTPPARGPPARD
SCHEMBL21537050 0.77 MAPT (0.38) RAB9ANPC1MAPTLMNAMAPK1
SCHEMBL3062835 0.76 CNR2 (0.75) RAB9ANPC1MAPTLMNATP53
SCHEMBL17275052 0.76 DPP4 (0.38) RAB9ANPC1MAPTLMNAMAPK1
SCHEMBL23336154 0.75 CNR2 (0.59) LMNA
SCHEMBL17274982 0.75 NR1H4 (0.38) RAB9ANPC1MAPTLMNAMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3428162-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-05-05 EP disclosed
EP-3428162-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF Merial Inc. (US) 2019-01-16 EP disclosed
EP-2922845-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL INC (US) 2018-06-20 EP disclosed