SCHEMBL21067657

SCHEMBL21067657

NC1=N[C@H](COc2ccc3c(c2)CNCC3)COc2ccsc21

nearest known ligand 0.93

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.93
NOS2 P35228 3/20 0.93
NOS1 P29475 2/20 0.93
HRH3 Q9Y5N1 4/20 0.37
TAAR1 Q96RJ0 1/20 0.36
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
PNMT P11086 2/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 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
SCHEMBL8195096 0.68 NOS2 (0.80) NOS3NOS2NOS1TAAR1
SCHEMBL8214849 0.66 NOS3 (1.00) NOS3NOS2NOS1TAAR1
SCHEMBL8218521 0.66 NOS3 (0.70) NOS3NOS2NOS1TAAR1
SCHEMBL8186392 0.65 NOS2 (0.85) NOS3NOS2NOS1TAAR1
SCHEMBL17585079 0.62 HRH3 (0.54) NOS3NOS2NOS1HRH3ADRA2A
Hydrochloric Acid SCHEMBL29950499 0.62 HRH3 (0.47) NOS3NOS2NOS1HRH3ADRA2A
Hydrochloric Acid SCHEMBL27173151 0.62 HRH3 (0.47) NOS3NOS2NOS1HRH3ADRA2A
SCHEMBL12895388 0.61 HRH3 (0.61) HRH3ADRA2AADRA2BADRA2CPNMT
SCHEMBL4719681 0.61 HRH3 (0.61) HRH3ADRA2AADRA2BADRA2CPNMT
SCHEMBL17585078 0.60 HRH3 (0.58) NOS3NOS2NOS1HRH3ADRA2A

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
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed