SCHEMBL9621708

SCHEMBL9621708

COc1c(F)cc(CNC(C)(OC)OC)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DBH P09172 1/20 0.40
CHRM4 P08173 1/20 0.34
CACNA1H O95180 1/20 0.33
NPC1 O15118 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ACACB O00763 1/20 0.32
TUBB1 Q9H4B7 2/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
TUBA1C Q9BQE3 1/20 0.31

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
SCHEMBL9622102 0.79 KDM1A (0.47) DBHMEN1KMT2AALDH1A1
SCHEMBL4835849 0.76 DBH (0.45) DBHCHRM4ACACBTUBB1TUBB4A
SCHEMBL13547868 0.72 DBH (0.41) DBHCACNA1HACACBTUBB1
SCHEMBL4547651 0.69 PTGS2 (0.58) DBHCACNA1HACACBTUBB1
SCHEMBL9621731 0.68 DBH (0.39) DBHCHRM4MEN1KMT2AACACB
SCHEMBL24088153 0.67 DBH (0.44) DBHACACBTUBB1KDM4EALDH1A1
SCHEMBL855357 0.67 HTR2A (0.45) DBHACACBTUBB1KDM4E
SCHEMBL22516438 0.67 DBH (0.44) DBHCHRM4ACACBTUBB1
SCHEMBL3764427 0.67 MAPT (0.50) DBHACACBTUBB1
SCHEMBL3769931 0.67 DBH (0.44) DBHACACBTUBB1TUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0260814-B1 DOPAMINE-BETA-HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1992-02-05 EP claimed
EP-0288488-A4 DOPAMINE- -HYDROXYLASE INHIBITORS 1990-09-12 EP claimed
EP-0288488-A1 DOPAMINE- -HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1988-11-02 EP claimed
EP-0260814-A1 Dopamine-Beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1988-03-23 EP claimed
WO-1988001267-A1 DOPAMINE-ss-HYDROXYLASE INHIBITORS SMITHKLINE BECKMAN CORPORATION (US) 1988-02-25 WO claimed
EP-0260814-B1 DOPAMINE-BETA-HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1992-02-05 EP disclosed