SCHEMBL3409507

SCHEMBL3409507

CC(C)(C)OC(=O)N1CCN(c2ccncc2)CC1.c1cc(N2CCNCC2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.56
NCF1 P14598 1/20 0.56
PLD1 Q13393 1/20 0.56
MAPT P10636 2/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
GPR119 Q8TDV5 11/20 0.53
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 1/20 0.48
NAMPT P43490 1/20 0.48
HIF1A Q16665 1/20 0.48
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL13587106 0.92 MAPT (0.63) MAPTALDH1A1LMNAGPR119SMN1; SMN2
SCHEMBL5237966 0.87 MAPT (0.57) MAPTALDH1A1LMNAGPR119SMN1; SMN2
SCHEMBL24990320 0.84 MAPT (0.61) MAPTALDH1A1LMNAGPR119SMN1; SMN2
Hydrochloric Acid SCHEMBL2306453 0.83 HIF1A (0.63) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL5573222 0.82 MAPT (0.76) MAPTALDH1A1LMNAGPR119SMN1; SMN2
SCHEMBL6181293 0.81 CHRM2 (0.55) MAPTALDH1A1LMNAGPR119SMN1; SMN2
SCHEMBL6793394 0.81 RECQL (0.60) MAPTALDH1A1LMNAGPR119
SCHEMBL484823 0.81 HIF1A (0.74) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL6182019 0.80 GPR119 (0.60) MAPTALDH1A1LMNAGPR119HRH3
SCHEMBL15101975 0.80 CHRM1 (0.53) MAPTALDH1A1LMNAGPR119

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-2254867-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal Gmbh (DE) 2010-12-01 EP disclosed
WO-2009109364-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-11 WO disclosed