SCHEMBL5167801

SCHEMBL5167801

CN(C)CCC[CH]CCN

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
DNM1 Q05193 3/20 0.35
CHRM2 P08172 1/20 0.33
HRH4 Q9H3N8 2/20 0.31
CYP1A2 P05177 1/20 0.31
HRH2 P25021 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL27761657 0.90 TDP1 (0.48) TDP1ALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL27937461 0.87 ALDH1A1 (0.53) TDP1ALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL23451607 0.84 ALDH1A1 (0.50) TDP1ALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL11636699 0.82
SCHEMBL8474854 0.79 ALDH1A1 (0.61) TDP1ALDH1A1TSHRDNM1HSD17B10
SCHEMBL5948312 0.77 DNM1 (0.48) TDP1ALDH1A1TSHRDNM1CYP1A2
SCHEMBL5948612 0.77 DNM1 (0.55) TDP1ALDH1A1TSHRDNM1CYP1A2
SCHEMBL10735956 0.74 ALDH1A1 (0.45) TDP1ALDH1A1TSHRDNM1
SCHEMBL1417224 0.74 ALDH1A1 (0.53) TDP1ALDH1A1TSHRDNM1HSD17B10
SCHEMBL1613314 0.74

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
EP-1773920-A1 METHOD FOR THE PRODUCTION OF EMULSIONS OF HIGHLY-VISCOUS ORGANOPOLYSILOXANES Wacker Chemie AG (DE) 2007-04-18 EP disclosed
WO-2006015740-A1 METHOD FOR THE PRODUCTION OF EMULSIONS OF HIGHLY-VISCOUS ORGANOPOLYSILOXANES WACKER CHEMIE AG (DE) 2006-02-16 WO disclosed