SCHEMBL7738829

SCHEMBL7738829

CCC(CNCCN)N(N)CCCO

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ANPEP P15144 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL4901538 0.74 ANPEP (0.38) CYP2C9CYP2C19ANPEPTDP1
SCHEMBL8000651 0.71 CA12 (0.36) CYP2C9CYP2C19ANPEPTDP1
SCHEMBL27901363 0.69 CA12 (0.35) CYP2C9CYP2C19ANPEPTDP1
SCHEMBL11727936 0.68 CA12 (0.42) CYP2C9CYP2C19ANPEPTDP1
SCHEMBL20988105 0.67 MAPT (0.35)
SCHEMBL8009173 0.67 CYP2C9 (0.36) CYP2C9CYP2C19ANPEPTDP1
SCHEMBL10885552 0.67 ANPEP (0.35) CYP2C9CYP2C19ANPEPTDP1
SCHEMBL8674802 0.66 ALDH1A1 (0.32)
SCHEMBL3628938 0.65 CYP2C19 (0.46) CYP2C9CYP2C19TDP1
SCHEMBL13154380 0.65 TDP1 (0.54) CYP2C9CYP2C19TDP1

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-2002038124-A1 USE OF AMPHOTERIC SURFACTANTS COGNIS IBERIA S.L. (ES) 2002-05-16 WO disclosed