SCHEMBL16639240

SCHEMBL16639240

O=C1c2cc(F)ccc2N(S)CCC1(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
PARK7 Q99497 4/20 0.36
PER2 O15055 3/20 0.34
CRY2 Q49AN0 2/20 0.34
LRRK2 Q5S007 2/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
NOTUM Q6P988 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
IDO2 Q6ZQW0 1/20 0.31
GAA P10253 2/20 0.30
ACHE P22303 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
SCHEMBL16639237 0.77 TRPA1 (0.38) PARK7PER2CRY2NOTUMALDH1A1
SCHEMBL16628365 0.72 LMNA (0.46) CA1CA2GAAHTTMEN1
SCHEMBL9866424 0.68 CA1 (0.45) CA1CA2CA7CA9PARK7
SCHEMBL24376604 0.65 CA1 (0.44) CA1CA2CA7CA9LRRK2
SCHEMBL9866562 0.61 NOTUM (0.38) CA1CA2CA7CA9PARK7
SCHEMBL16639238 0.61 TRPA1 (0.40) PARK7PER2NOTUM
SCHEMBL14466675 0.60 PARP1 (0.42) CA1CA2CA7CA9PARK7
SCHEMBL25436364 0.60 AR (0.32) CA1CA2CA7CA9PER2
SCHEMBL26790924 0.58 CA1 (0.40) CA1CA2CA7CA9ACHE
SCHEMBL4764513 0.57 PARK7 (0.40) CA1CA2CA7CA9PARK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2860175-B1 METHOD FOR PRODUCING 4,4,7-TRIFLUORO-1,2,3,4-TETRAHYDRO-5H-1-BENZAZEPINE COMPOUND AND INTERMEDIATE FOR SYNTHESIS THEREOF TACURION (US) 2017-11-29 EP disclosed
EP-2860175-A1 METHOD FOR PRODUCING 4,4,7-TRIFLUORO-1,2,3,4-TETRAHYDRO-5H-1-BENZAZEPINE COMPOUND AND INTERMEDIATE FOR SYNTHESIS THEREOF Astellas Pharma Inc. (JP) 2015-04-15 EP disclosed