SCHEMBL21187197

SCHEMBL21187197

COC1C=CC(CN/C(=N\I)NC2CCC(c3ccccc3)CC2)=CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.33
ALDH1A1 P00352 3/20 0.32
LIPG Q9Y5X9 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GRIN2B Q13224 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL21187140 0.75 NPC1 (0.47) ALDH1A1SMN1; SMN2
SCHEMBL21187133 0.75 NPC1 (0.47) ALDH1A1SMN1; SMN2
SCHEMBL21187128 0.75 NPC1 (0.47) ALDH1A1SMN1; SMN2
SCHEMBL21187213 0.67 NPC1 (0.48) ALDH1A1SMN1; SMN2L3MBTL1GRIN2B
SCHEMBL21187111 0.63 NPC1 (0.45) ALDH1A1LIPGSMN1; SMN2L3MBTL1GRIN2B
SCHEMBL21187139 0.63 NPC1 (0.45) ALDH1A1LIPGSMN1; SMN2L3MBTL1GRIN2B
SCHEMBL21176804 0.62 NPC1 (0.47) ALDH1A1SMN1; SMN2
SCHEMBL21176802 0.62 NPC1 (0.47) ALDH1A1SMN1; SMN2
SCHEMBL21187121 0.60 MEN1 (0.46) ALDH1A1GRIN2B
SCHEMBL18869949 0.58 NPY5R (0.56) NPY5RALDH1A1LIPGSMN1; SMN2L3MBTL1

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-2019141095-A1 AMIDINE AND GUANIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 四川科伦博泰生物医药股份有限公司 2019-07-25 WO disclosed