SCHEMBL9801097

SCHEMBL9801097

CCCN1CCN(CCC)C(C)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
SIGMAR1 Q99720 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL9801551 0.89 SIGMAR1 (0.46) KCNJ1KCNH2SIGMAR1CYP2D6CYP2C19
SCHEMBL9801966 0.88 MAPK1 (0.47) KCNJ1KCNH2SIGMAR1CYP2D6CYP2C19
SCHEMBL9801487 0.88 ALOX15 (0.43) KCNJ1KCNH2SIGMAR1CYP2D6CYP2C19
SCHEMBL13550395 0.88 MAPK1 (0.44) KCNJ1KCNH2SIGMAR1CYP2D6CYP2C19
SCHEMBL9801364 0.85 SIGMAR1 (0.41) KCNJ1KCNH2SIGMAR1
SCHEMBL9801938 0.85 KCNJ1 (0.37) KCNJ1KCNH2SIGMAR1CYP2D6
SCHEMBL23267012 0.81 SIGMAR1 (0.37) KCNJ1KCNH2SIGMAR1CYP2D6CYP2C19
SCHEMBL23205217 0.81 SIGMAR1 (0.40) KCNJ1KCNH2SIGMAR1
SCHEMBL9801956 0.80 DRD2 (0.41) DRD2DRD1DRD4DRD5DRD3
SCHEMBL11957693 0.80 DRD2 (0.41) DRD2DRD1DRD4DRD5DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008028427-A1 DERIVATIVES OF 2-PHENYL-3-HYDROXYQUINOLINE-4(1H)-ONE AND METHODS OF THEIR PREPARATION AND UTILIZATION UNIVERZITA PALACKEHO (CZ) 2008-03-13 WO disclosed
US-4992150-A Telomer with alpha-olefin;oil and fuel additive NIPPON OIL CO, LTD. (JP) 1991-02-12 US disclosed