SCHEMBL2494154

SCHEMBL2494154

Nc1ccc(N2[CH]CNCC2)nc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
HRH3 Q9Y5N1 1/20 0.37
PLD1 Q13393 1/20 0.33
PLK4 O00444 2/20 0.33
OGA O60502 1/20 0.32
IKBKE Q14164 1/20 0.31
TBK1 Q9UHD2 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
SCHEMBL22159394 0.81 BPTF (0.38) HRH3PLD1
SCHEMBL529383 0.76 PLD1 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31347924 0.76 PLD1 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3534837 0.75 PLD1 (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL3633878 0.75 PLD1 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15659725 0.73 PLD1 (0.38) HRH3PLD1
SCHEMBL20124822 0.71 HRH4 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL853306 0.70 TDO2 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL3211478 0.70 HRH4 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19998348 0.69 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-2378878-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Via Pharmaceuticals, Inc. (US) 2011-10-26 EP disclosed
WO-2010077861-A1 INHIBITORS OF DIACYLGLYCEROL ACLYTRANSFERASE VIA PHARMACEUTICALS, INC (US) 2010-07-08 WO disclosed