SCHEMBL20032047

SCHEMBL20032047

CCC(CCN(C)C)NCCN(C)CCCN

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL19214810 0.88 LMNA (0.32) TDP1
SCHEMBL18158100 0.87 CHRM2 (0.38) CHRM2TDP1CYP2C9CYP2C19
SCHEMBL20661493 0.84 CA12 (0.42) TDP1
SCHEMBL20032040 0.83 CHRM2 (0.33) CHRM2
SCHEMBL19214868 0.81 CHRM2 (0.36) CHRM2
SCHEMBL20032039 0.81 DNM1 (0.35)
SCHEMBL20032095 0.81 CA12 (0.35)
SCHEMBL18158105 0.77 CYP2C9 (0.34) TDP1CYP2C9CYP2C19
SCHEMBL19214876 0.75
SCHEMBL18158111 0.75 ALDH1A1 (0.30)

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-20180094086-A1 NEAR INFRARED ABSORBING COMPOSITION, NEAR INFRARED CUT FILTER, METHOD OF MANUFACTURING NEAR INFRARED CUT FILTER, DEVICE, METHOD OF MANUFACTURING COPPER-CONTAINING POLYMER, AND COPPER-CONTAINING POLYMER FUJIFILM CORPORATION (JP) 2018-04-05 US disclosed