SCHEMBL6623672

SCHEMBL6623672

COC(=O)CNC1CCc2c(-c3ccccc3)[nH]c3cccc1c23

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.41
CD274 Q9NZQ7 1/20 0.37
MAOA P21397 3/20 0.36
MAOB P27338 3/20 0.36
ACHE P22303 2/20 0.36
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36
TUBA4A P68366 2/20 0.36
TUBB4B P68371 2/20 0.36
TUBB3 Q13509 2/20 0.36
TUBB2A Q13885 2/20 0.36
TUBB8 Q3ZCM7 2/20 0.36
TUBA3E Q6PEY2 2/20 0.36
TUBA1A Q71U36 2/20 0.36
TUBA1C Q9BQE3 2/20 0.36
TUBB6 Q9BUF5 2/20 0.36
TUBB2B Q9BVA1 2/20 0.36
TUBB1 Q9H4B7 2/20 0.36

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
SCHEMBL6624637 0.91 POLB (0.40) PARP1CD274MAOAMAOBBCHE
Hydrochloric Acid SCHEMBL8222171 0.90 POLB (0.40) PARP1CD274MAOAMAOBACHE
SCHEMBL6623902 0.89 PARP1 (0.44) PARP1CD274MAOAMAOBACHE
SCHEMBL6624331 0.87 SCN3A (0.36) PARP1CD274MAOAMAOBACHE
Hydrochloric Acid SCHEMBL6622568 0.86 SCN3A (0.36) PARP1CD274MAOAMAOBACHE
Hydrochloric Acid SCHEMBL6624623 0.86 PARP1 (0.41) PARP1CD274MAOAMAOBACHE
SCHEMBL6627765 0.82 PARP1 (0.44) PARP1CD274MTNR1AMTNR1B
SCHEMBL6622618 0.81 CDC42 (0.46) PARP1CD274MTNR1AMTNR1B
SCHEMBL6624826 0.81 PARP1 (0.45) PARP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6624461 0.80 RB1 (0.46) PARP1MAOAMAOBVCP

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
EP-0858996-B1 NERVE CELL PROTECTIVE AGENTS MOCHIDA PHARM CO LTD (JP) 2004-10-27 EP disclosed
US-6040331-A Nerve cell protective agents MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-21 US disclosed
EP-0858996-A1 NERVE CELL PROTECTIVE AGENTS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1998-08-19 EP disclosed