SCHEMBL21118033

SCHEMBL21118033

CCC1(C)CCCC(CN)C1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL28968041 0.86 NCF1 (0.31) NCF1
SCHEMBL15541433 0.82 CYP19A1 (0.32)
SCHEMBL15540851 0.82 CYP19A1 (0.32)
SCHEMBL20901160 0.82
SCHEMBL23353392 0.78 CYP2D6 (0.33)
SCHEMBL16874265 0.77 NCF1 (0.33) NCF1
SCHEMBL721012 0.77 NCF1 (0.33) NCF1
SCHEMBL15541414 0.77 NCF1 (0.33) NCF1
SCHEMBL15707697 0.76 NCF1 (0.30) NCF1
SCHEMBL21424607 0.75 SIGMAR1 (0.38)

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
EP-2822945-B1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY COMPOUND HANDLING B V (NL) 2019-06-19 EP disclosed