SCHEMBL9400649

SCHEMBL9400649

BC#N.NCC1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
NCF1 P14598 1/20 0.33
GBA1 P04062 1/20 0.32
HTR3A P46098 1/20 0.32
KCNH2 Q12809 1/20 0.32
PLG P00747 1/20 0.31
PLAT P00750 1/20 0.31
LMNA P02545 1/20 0.31
ANPEP P15144 1/20 0.30
ERAP2 Q6P179 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
SCHEMBL134511 0.85
Iodide SCHEMBL31297046 0.83
SCHEMBL11871349 0.83
Hydrochloric Acid SCHEMBL2674811 0.83
Hydrochloric Acid SCHEMBL4716511 0.83 NCF1 (0.40) NCF1GBA1PLGPLATLMNA
SCHEMBL11506240 0.83 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3NCF1GBA1
SCHEMBL6223313 0.76
SCHEMBL13950349 0.76
SCHEMBL640611 0.70
SCHEMBL1624245 0.70

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
WO-1993009123-A1 HETEROCYCLIC AMINO-BORANES BORON BIOLOGICALS, INC. (US) 1993-05-13 WO claimed
US-5280119-A Heterocyclic amine attached to boron by a nitrogen-boron coordinated bond BORON BIOLOGICALS, INC. (US) 1994-01-18 US disclosed
WO-1993009123-A1 HETEROCYCLIC AMINO-BORANES BORON BIOLOGICALS, INC. (US) 1993-05-13 WO disclosed