SCHEMBL1709810

SCHEMBL1709810

NCC1(N)CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
CYP2C19 P33261 1/20 0.58
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
OPRK1 P41145 2/20 0.56
OPRD1 P41143 1/20 0.56
KDM1A O60341 2/20 0.50
ENPP2 Q13822 1/20 0.48
ATXN2 Q99700 1/20 0.48
NOS2 P35228 1/20 0.48
HDAC1 Q13547 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC2 Q92769 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL29266964 0.89 MEN1 (0.58) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL3779074 0.88 MEN1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL15774906 0.86 SMN1; SMN2 (0.59) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL31722389 0.86 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL5358506 0.86 MEN1 (0.58) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
Hydrochloric Acid SCHEMBL15774920 0.85 SMN1; SMN2 (0.57) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL27598217 0.85 OPRD1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL2887578 0.85 KDM1A (0.60) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL1709936 0.84 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL6984069 0.84 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19

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
WO-2012048222-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-04-12 WO disclosed