SCHEMBL28039622

SCHEMBL28039622

O=CC(=O)C1c2ccccc2CN1C1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.38
NAMPT P43490 2/20 0.37
HTR2C P28335 5/20 0.37
HTR2A P28223 1/20 0.37
ACE P12821 4/20 0.36
HTR6 P50406 1/20 0.35
HTR2B P41595 2/20 0.35
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL28047413 0.86 DPP4 (0.37) NAMPTACEDPP9DPP7TSHR
SCHEMBL28265026 0.82 ACE (0.36) ACEDPP9DPP7TSHR
SCHEMBL28186716 0.81 ACE (0.34) ACEDPP9DPP7
SCHEMBL28187445 0.81 NOTUM (0.36) ACETSHRNPSR1
SCHEMBL27822279 0.80 CHRNB4 (0.36) ACETSHR
SCHEMBL28152852 0.80 CHRNB4 (0.36) ACETSHR
SCHEMBL27528106 0.79 KDM4E (0.42) NAMPT
SCHEMBL27540268 0.79 HTR2C (0.39) PARP1NAMPTHTR2CHTR2AHTR6
SCHEMBL20830203 0.77 HTR2C (0.42) PARP1NAMPTHTR2CHTR2AHTR6
SCHEMBL27920541 0.75 ACE (0.41) ACE

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-105085515-B Hydrazide kind compound as coagulation factor xa inhibitors 华北制药股份有限公司 2019-02-01 CN disclosed
CN-105085515-A Hydrazide compound as blood coagulation factor Xa inhibitor NANJING MINGDE NEW DRUG RES AND DEV CO LTD 2015-11-25 CN disclosed