SCHEMBL20220413

SCHEMBL20220413

CCCC(c1cc(F)ccc1F)N(C)CCC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.35
PSEN2 P49810 4/20 0.35
APH1B Q8WW43 4/20 0.35
NCSTN Q92542 4/20 0.35
APH1A Q96BI3 4/20 0.35
PSENEN Q9NZ42 4/20 0.35
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
RIPK1 Q13546 1/20 0.32
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
HTR2A P28223 1/20 0.30

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
SCHEMBL18885183 0.73 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16956192 0.71 CES2 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22241272 0.69 CES2 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24222112 0.67 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4819936 0.67 CES2 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14640345 0.67 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4593455 0.67 CES2 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6423549 0.67 CES2 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2632720 0.66 KCNH2 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16957740 0.66 CES2 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A

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
EP-2791138-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS Dr Reddys Laboratories Ltd (IN) 2018-06-06 EP disclosed