SCHEMBL21341996

SCHEMBL21341996

NC(=O)Nc1ccc(C(F)(F)F)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
KIF11 P52732 6/20 0.51
TRPV1 Q8NER1 1/20 0.48
EPHX2 P34913 1/20 0.46
USP30 Q70CQ3 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CLK2 P49760 1/20 0.44
DYRK1A Q13627 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
CYP2C9 P11712 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
SLC22A11 Q9NSA0 1/20 0.44
TRPV4 Q9HBA0 1/20 0.44
PEPD P12955 1/20 0.44
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
KCNE1 P15382 1/20 0.43

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
SCHEMBL2225852 0.84 TRPV1 (0.49) TRPV1EPHX2USP30CLK2DYRK1A
SCHEMBL29585632 0.84 TRPV1 (0.49) TRPV1EPHX2USP30CLK2DYRK1A
SCHEMBL1204250 0.83 KIF11 (0.51) ALDH1A1KIF11TRPV1EPHX2USP30
SCHEMBL9906890 0.83 KDM4E (0.55) TRPV1EPHX2USP30SMN1; SMN2CLK2
SCHEMBL24974096 0.80 MAPT (0.50) ALDH1A1TRPV1EPHX2USP30CLK2
SCHEMBL3573330 0.80 SMN1; SMN2 (0.47) ALDH1A1TRPV1EPHX2USP30SMN1; SMN2
SCHEMBL21503709 0.79 MLYCD (0.53) ALDH1A1TRPV1EPHX2USP30SMN1; SMN2
SCHEMBL20097426 0.79 ATM (0.53) TRPV1EPHX2USP30SMN1; SMN2NPC1
SCHEMBL21580308 0.79 TRPV1 (0.46) TRPV1EPHX2USP30CLK2DYRK1A
SCHEMBL5778192 0.76 NAMPT (0.49) TRPV1EPHX2USP30CYP2C9SLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023176554-A1 COGNITIVE-FUNCTION-IMPROVING AGENT 国立大学法人東北大学 2023-09-21 WO claimed
WO-2023176554-A1 COGNITIVE-FUNCTION-IMPROVING AGENT 国立大学法人東北大学 2023-09-21 WO disclosed
EP-3634955-B1 PIPERIDINONE FORMYL PEPTIDE 2 RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-03-31 EP disclosed
WO-2019170904-A1 PIPERIDINES OR PIPERIDONES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2019-09-12 WO disclosed