SCHEMBL17685404

SCHEMBL17685404

CC(C)(CCN)N(CCCN)C(C)(C)CCN

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL31620524 0.82 DNM1 (0.42) CHRM2
SCHEMBL3794084 0.76 CHRM2 (0.38) CHRM2TDP1
SCHEMBL4956096 0.72 CHRM2 (0.35) CHRM2TDP1
SCHEMBL29055684 0.70 FDPS (0.30)
SCHEMBL10710221 0.70 CHRM2 (0.44) CHRM2
SCHEMBL3167401 0.69 CYP2D6 (0.32)
SCHEMBL3788241 0.69 CHRM2 (0.48) CHRM2TDP1
SCHEMBL2601752 0.67
SCHEMBL27069753 0.67 CHRM2 (0.52) CHRM2TDP1
SCHEMBL3793004 0.67 CHRM2 (0.52) CHRM2

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-2106415-B1 TERTIARY AMINES BLOCKED WITH POLYMER ACIDS HUNTSMAN PETROCHEMICAL LLC (US) 2016-04-20 EP claimed