SCHEMBL2555355

SCHEMBL2555355

OB(O)c1cc(-c2ccc(OC(F)(F)F)cc2)ncc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 7/20 0.44
SCN10A Q9Y5Y9 3/20 0.41
ACP1 P24666 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP1A2 P05177 2/20 0.40
ABL1 P00519 3/20 0.39
BCR P11274 3/20 0.39
DHODH Q02127 1/20 0.39
SCN1A P35498 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
FAAH O00519 3/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 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
SCHEMBL29951348 0.86 DYRK1A (0.47) SCN10AKCNH2
SCHEMBL15333421 0.86 DYRK1A (0.47) SCN10AKCNH2
SCHEMBL2559299 0.85 KDM4E (0.45) SCN5ASCN10AACP1ADORA3CYP1A2
SCHEMBL2562511 0.83 TDO2 (0.46) ADORA3ALOX5APFEN1
SCHEMBL21352390 0.76 HSD11B1 (0.45) ABL1SCN9AALOX5APFEN1
SCHEMBL1550503 0.76 SCN5A (0.44) SCN5ASCN10AACP1ADORA3CYP1A2
SCHEMBL1550226 0.75 SCN10A (0.47) SCN5ASCN10AADORA3CYP1A2ABL1
SCHEMBL3713987 0.74 CYP1A2 (0.43) SCN5ASCN10AACP1ADORA3CYP1A2
SCHEMBL2556881 0.74 KMO (0.48) CYP1A2DHODHSCN2A
SCHEMBL2556002 0.73 RAB9A (0.43) SCN5ASCN10ASCN1AKCNH2SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed