SCHEMBL9726321

SCHEMBL9726321

C1=CC2NCCCC2NCC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.31
MBTD1 Q05BQ5 1/20 0.30
L3MBTL3 Q96JM7 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
SCHEMBL22460801 0.74 EPAS1 (0.32) EPAS1
SCHEMBL10757117 0.72 EPAS1 (0.32) EPAS1
SCHEMBL2647293 0.72 EPAS1 (0.32) EPAS1
SCHEMBL17881911 0.72 EPAS1 (0.32) EPAS1
SCHEMBL21892177 0.70 EPAS1 (0.32) EPAS1MBTD1L3MBTL3
SCHEMBL8901938 0.70 CHRNB2 (0.30)
SCHEMBL9595528 0.68 L3MBTL1 (0.39) MBTD1L3MBTL3
SCHEMBL19211543 0.68 L3MBTL1 (0.39) MBTD1L3MBTL3
SCHEMBL19853436 0.68 L3MBTL1 (0.39) MBTD1L3MBTL3
SCHEMBL16763803 0.68 L3MBTL1 (0.39) MBTD1L3MBTL3

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
US-5142055-A Dehydrofluorinating reduced fluoroalkyl pyridine compound MONSANTO COMPANY (US) 1992-08-25 US claimed
EP-0133612-A2 Substituted 2,6-substituted pyridine compounds MONSANTO COMPANY (US) 1985-02-27 EP claimed