SCHEMBL28111732

SCHEMBL28111732

CC(C)c1cc(N2CCN(C)CC2)nnc1C(=O)NC1CCCCC1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.78
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.44
HSD11B1 P28845 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL28836147 0.76 CNR2 (0.60) CNR2SMN1; SMN2TSHRNPC1RAB9A
SCHEMBL28111736 0.73 CNR2 (1.00) CNR2SMN1; SMN2TSHRNPC1RAB9A
SCHEMBL1330727 0.71 HSD11B1 (0.52) CNR2NPC1RAB9AHSD11B1
SCHEMBL23269595 0.67 HDAC3 (0.62) SMN1; SMN2TSHRNPC1RAB9A
SCHEMBL31759167 0.67 BMPR1B (0.45) CNR2SMN1; SMN2TSHR
SCHEMBL31759235 0.65 BMPR1B (0.43) CNR2TSHRLMNA
SCHEMBL26898604 0.65 ALDH1A1 (0.58) CNR2SMN1; SMN2TSHRNPC1RAB9A
SCHEMBL28111774 0.65 HSD11B1 (0.66) CNR2SMN1; SMN2NPC1RAB9AHSD11B1
SCHEMBL1014719 0.64 POLB (0.53) CNR2SMN1; SMN2TSHRLMNAHSD11B1
SCHEMBL1013784 0.64 POLB (0.53) CNR2SMN1; SMN2TSHRLMNAHSD11B1

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
CN-106187910-A Pyridazine class derivant and its production and use 浙江大学 2016-12-07 CN claimed
CN-106187910-A Pyridazine class derivant and its production and use 浙江大学 2016-12-07 CN disclosed