SCHEMBL7760923

SCHEMBL7760923

NCC1CCCC(N)(N)C1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.33
CYP2D6 P10635 1/20 0.31
NCF1 P14598 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
SCHEMBL2234212 0.79 ARG1 (0.32) ARG1
SCHEMBL5482825 0.77 NOS1 (0.33) ARG1
SCHEMBL717659 0.77 ARG1 (0.31) ARG1
SCHEMBL2138556 0.77 NCF1 (0.32) ARG1NCF1
SCHEMBL17818811 0.76 CYP2D6 (0.31) CYP2D6NCF1
SCHEMBL721012 0.74 NCF1 (0.33) NCF1
SCHEMBL15541414 0.74 NCF1 (0.33) NCF1
Hydrochloric Acid SCHEMBL17476502 0.74
SCHEMBL17311021 0.74 APLNR (0.36)
SCHEMBL16874265 0.74 NCF1 (0.33) NCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001072866-A1 POLYURETHANE PREPARED FROM SORBITOL-BRANCHED POLYESTERS CROMPTON CORPORATION (US) 2001-10-04 WO claimed