SCHEMBL23733299

SCHEMBL23733299

NCCC1C/C=C\CCCC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.38
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL5864375 0.85
SCHEMBL21741337 0.83 CYP2D6 (0.33) SIGMAR1
SCHEMBL7991206 0.79 KDM4E (0.33)
SCHEMBL7992369 0.79 CYP1A2 (0.40) NOS3NOS1NOS2
SCHEMBL7991209 0.79 KDM4E (0.33)
SCHEMBL27386303 0.78 SIGMAR1 (0.40) SIGMAR1NOS3NOS1NOS2
SCHEMBL22047561 0.78 SIGMAR1 (0.40) SIGMAR1NOS3NOS1NOS2
SCHEMBL5864430 0.77
SCHEMBL7992364 0.76 CYP1A2 (0.33) SIGMAR1
SCHEMBL7997742 0.76

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
US-11077298-B2 Partially woven expandable members CARDIONOMIC, Inc. (US) 2021-08-03 US disclosed