SCHEMBL6964542

SCHEMBL6964542

CC1(C)OC(=O)N(CCCCCBr)C1c1ccc(F)c(F)c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.32
ADRA1D P25100 3/20 0.31
ADRA1A P35348 3/20 0.31
ADRA1B P35368 3/20 0.31
PGR P06401 1/20 0.31
KCNN4 O15554 1/20 0.30
HCAR3 P49019 1/20 0.30
HCAR2 Q8TDS4 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
SCHEMBL7678848 0.74 MTOR (0.34) ADRA1DADRA1AADRA1B
SCHEMBL7673189 0.74 MTOR (0.34) ADRA1DADRA1AADRA1B
SCHEMBL5663717 0.74 MTOR (0.34) ADRA1DADRA1AADRA1B
SCHEMBL7678845 0.74 MTOR (0.34) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL6958159 0.73 ADRA1D (0.62) ADRA1DADRA1AADRA1B
SCHEMBL7678945 0.72 MTOR (0.34) ADRA1A
SCHEMBL7678949 0.72 MTOR (0.34) ADRA1A
SCHEMBL5660734 0.70 HCAR3 (0.39) TNKSADRA1DADRA1AADRA1BHCAR3
SCHEMBL14587408 0.70 HCAR3 (0.36) TNKSADRA1DADRA1AADRA1BHCAR3
SCHEMBL14619731 0.64 TNKS (0.37) TNKSHCAR3HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988295-A4 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2003-08-13 EP disclosed
EP-0988295-A1 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-03-29 EP disclosed
WO-1998057940-A1 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-12-23 WO disclosed