SCHEMBL3342250

SCHEMBL3342250

C=C(C)C(=O)N(CCN)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
TSHR P16473 1/20 0.43
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
THRB P10828 1/20 0.39
LMNA P02545 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
OPRM1 P35372 1/20 0.37

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
SCHEMBL6617089 0.80 TSHR (0.48) POLBTSHRKMT2AMEN1CYP2D6
SCHEMBL6515162 0.77 HTT (0.47) POLBTSHRKMT2AMEN1CYP2D6
SCHEMBL30528370 0.72 POLB (0.50) POLBTSHRKMT2AMEN1CYP2D6
SCHEMBL15059410 0.72 POLB (0.50) POLBTSHRKMT2AMEN1CYP2D6
SCHEMBL8631420 0.71 TSHR (0.51) POLBTSHRKMT2AMEN1CYP2D6
SCHEMBL2562392 0.70 POLB (0.51) POLBTSHRKMT2AMEN1CYP2D6
SCHEMBL16244497 0.70 POLB (0.48) POLBTSHRKMT2AMEN1CYP2D6
SCHEMBL14544592 0.70 ALDH1A1 (0.48) POLBTSHRKMT2ACYP2D6CYP2C19
SCHEMBL844392 0.70 CYP2D6 (0.55) POLBTSHRKMT2ACYP2D6CYP2C19
SCHEMBL5511513 0.69 POLB (0.57) POLBTSHRKMT2AMEN1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2109659-B1 DISPERSANT COMBINATION FOR IMPROVED TRANSMISSION FLUIDS LUBRIZOL CORP (US) 2019-06-12 EP disclosed
US-20100099588-A1 Dispersant Combination for Improved Transmission Fluids THE LUBRIZOL CORPORATION 2010-04-22 US disclosed
EP-2109659-A2 DISPERSANT COMBINATION FOR IMPROVED TRANSMISSION FLUIDS The Lubrizol Corporation (US) 2009-10-21 EP disclosed
WO-2008094781-A2 DISPERSANT COMBINATION FOR IMPROVED TRANSMISSION FLUIDS THE LUBRIZOL CORPORATION (US) 2008-08-07 WO disclosed