SCHEMBL29974656

SCHEMBL29974656

NCC[C@H](Oc1cccc2ccoc12)c1ccoc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.38
SLC6A4 P31645 10/20 0.38
SLC6A3 Q01959 3/20 0.38
NOS2 P35228 3/20 0.32
CYP2D6 P10635 2/20 0.32
KCNK2 O95069 1/20 0.30
KCNH2 Q12809 1/20 0.30
CACNA1C Q13936 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
SCHEMBL23521648 1.00 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3NOS2CYP2D6
SCHEMBL21742901 1.00 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3NOS2CYP2D6
SCHEMBL23521650 0.84 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL29975150 0.84 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL23761083 0.84 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL23521649 0.84 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL5079373 0.82 SLC6A4 (0.56) SLC6A2SLC6A4SLC6A3
SCHEMBL21722650 0.81 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL21722648 0.81 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL29974522 0.81 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3

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-115135644-B Preparation method and crystal form of 3-aryloxy-3-five-membered heteroaryl-propylamine compound 漳州片仔癀药业股份有限公司 2024-06-18 CN disclosed
CN-112654616-B 3-aryloxy-3-aryl-propylamines and application thereof 漳州片仔癀药业股份有限公司 2024-03-12 CN disclosed
CN-115135644-A Preparation method and crystal form of 3-aryloxy-3-pentabasic heteroaryl-propylamine compound 漳州片仔癀药业股份有限公司 2022-09-30 CN disclosed