SCHEMBL18995641

SCHEMBL18995641

CN1CCC(CNC(C)(C)I)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.43
KDM1A O60341 2/20 0.37
MAOB P27338 1/20 0.37
HRH3 Q9Y5N1 2/20 0.34
HRH4 Q9H3N8 1/20 0.34
NSD2 O96028 1/20 0.34
ACHE P22303 1/20 0.33
HDAC4 P56524 1/20 0.32
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
MAPT P10636 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
SCHEMBL4569282 0.83 NCF1 (0.46) NCF1KDM1AMAOBHRH3HRH4
SCHEMBL18822911 0.74 NCF1 (0.50) NCF1KDM1AMAOBHRH3HRH4
SCHEMBL12665755 0.73 NCF1 (0.40) NCF1KDM1AMAOBHRH3HRH4
SCHEMBL1488427 0.72 NCF1 (0.52) NCF1KDM1AMAOBHRH3HRH4
SCHEMBL24688742 0.71 NCF1 (0.42) NCF1KDM1AMAOBHRH3NSD2
SCHEMBL24319800 0.70 NCF1 (0.62) NCF1KDM1AMAOBHRH3HRH4
SCHEMBL16246818 0.70 NCF1 (0.56) NCF1KDM1AMAOBHRH3HRH4
SCHEMBL1488424 0.70 NCF1 (0.50) NCF1KDM1AMAOBHRH3HRH4
SCHEMBL17886879 0.69 NCF1 (0.45) NCF1KDM1AMAOBHRH3HRH4
SCHEMBL12935918 0.69 CKS1B (0.45) NCF1HDAC4MAPT

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-9682141-B2 Combination of kinase inhibitors and uses thereof INTELLIKINE LLC (US) 2017-06-20 US disclosed