SCHEMBL28095334

SCHEMBL28095334

CCCCC(N)(Cc1ccccc1)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 2/20 0.52
ARG2 P78540 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
SLC6A2 P23975 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
KIF11 P52732 1/20 0.40
EPHX2 P34913 1/20 0.39
CETP P11597 3/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL14478224 0.89 ARG1 (0.66) ARG1ARG2SMN1; SMN2HIF1ASLC6A2
SCHEMBL4404034 0.86 HPGD (0.43) ARG1ARG2CETPHPGD
SCHEMBL7519674 0.83 ARG1 (0.49) ARG1ARG2SMN1; SMN2HIF1ASLC6A2
SCHEMBL2212406 0.83 ARG1 (0.49) ARG1ARG2SMN1; SMN2HIF1ASLC6A2
SCHEMBL5272379 0.83 HIF1A (0.53) ARG1ARG2SMN1; SMN2HIF1ASLC6A2
SCHEMBL5272375 0.83 HIF1A (0.53) ARG1ARG2SMN1; SMN2HIF1ASLC6A2
SCHEMBL8843838 0.82 SMN1; SMN2 (0.61) ARG1ARG2SMN1; SMN2HIF1ASLC6A2
SCHEMBL29450628 0.82 SMN1; SMN2 (0.44) ARG1ARG2SMN1; SMN2HIF1ASLC6A2
Hydrochloric Acid SCHEMBL8843402 0.81 ARG1 (0.50) ARG1ARG2SMN1; SMN2HIF1ASLC6A2
Hydrochloric Acid SCHEMBL8556297 0.81 SMN1; SMN2 (0.59) ARG1ARG2SMN1; SMN2HIF1ASLC6A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106117310-A Small molecule conjugates for Intracellular delivery bioactive compound 弗·哈夫曼-拉罗切有限公司 2016-11-16 CN disclosed
CN-105960403-A Metal chelates for binding to platelet-specific glycoprotein IIB/IIIA 拜耳制药股份公司 2016-09-21 CN disclosed
CN-103282502-B small molecule conjugates for intracellular delivery of biologically active compounds 弗·哈夫曼-拉罗切有限公司 2016-08-10 CN disclosed