SCHEMBL2556582

SCHEMBL2556582

OB(O)c1cncc(-c2ccccc2C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.45
TRPA1 O75762 4/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
CTSA P10619 1/20 0.41
CYP11B2 P19099 3/20 0.40
AR P10275 1/20 0.40
NPY5R Q15761 1/20 0.40
BACE1 P56817 1/20 0.40
CYP11B1 P15538 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL29891775 0.82 AR (0.45) SCN9ATRPA1TRPM8ARBACE1
SCHEMBL28542572 0.77 MGLL (0.50) TRPA1TRPM8ARBACE1ALDH1A1
SCHEMBL27958873 0.77 CYP3A4 (0.53) SCN9ATRPA1TRPM8ARNPY5R
SCHEMBL5107946 0.76 CYP11B1 (0.56) SCN9ATRPA1TRPM8CTSACYP11B2
SCHEMBL12105426 0.76 CHRNB1 (0.39) TRPA1NPY5RBACE1ALOX5APFEN1
SCHEMBL13425749 0.76 BACE1 (0.49) SCN9ATRPA1TRPM8CTSAAR
SCHEMBL12692422 0.74 NPY5R (0.64) SCN9ATRPA1TRPM8CYP11B2NPY5R
SCHEMBL1304481 0.73 MGLL (0.59) CYP11B2CYP11B1
SCHEMBL2559988 0.73 MGLL (0.53) CYP11B2CYP11B1ALDH1A1HSD17B10
SCHEMBL21352381 0.73 CYP1A2 (0.43) ALDH1A1CYP3A4CYP2D6ALOX15MAPK1

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