SCHEMBL29673233

SCHEMBL29673233

N=C(N)c1ccc2c(c1)CCN2

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
PLAU P00749 6/20 0.52
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
F2 P00734 3/20 0.42
MASP2 O00187 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
PRSS1 P07477 3/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
CRBN Q96SW2 1/20 0.40
PLG P00747 2/20 0.39
KLKB1 P03952 2/20 0.39
PLAT P00750 1/20 0.39
KLK1 P06870 1/20 0.39

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
SCHEMBL18175179 0.82 DRD2 (0.55) DRD2DRD4PLAUKDM4EMAPT
SCHEMBL29779540 0.82 KDM4E (0.58) DRD2DRD4PLAUKDM4EMAPT
SCHEMBL4051485 0.82 KDM4E (0.58) DRD2DRD4PLAUKDM4EMAPT
Hydrochloric Acid SCHEMBL30263125 0.81 KDM4E (0.57) DRD2DRD4PLAUKDM4EMAPT
SCHEMBL4279479 0.79 DRD2 (0.51) DRD2DRD4PLAUKDM4EMAPT
SCHEMBL4279472 0.79 DRD2 (0.51) DRD2DRD4PLAUKDM4EMAPT
SCHEMBL4279482 0.79 DRD2 (0.51) DRD2DRD4PLAUKDM4EMAPT
SCHEMBL15384234 0.78 DRD2 (0.50) DRD2DRD4PLAUKDM4EMAPT
SCHEMBL2638095 0.76 KDM4E (0.81) DRD2DRD4KDM4EMAPTALDH1A1
SCHEMBL29530477 0.76 KDM4E (0.81) DRD2DRD4KDM4EMAPTALDH1A1

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
CN-114585360-A Methods of using the same for the treatment of epilepsy 特维娜有限公司 2022-06-03 CN disclosed