SCHEMBL6624248

SCHEMBL6624248

NCC(=O)NC1CCc2c(-c3ccccc3)[nH]c3cccc1c23

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.42
S1PR1 P21453 1/20 0.37
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
ALDH1A1 P00352 1/20 0.36
APOL1 O14791 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
TAOK3 Q9H2K8 1/20 0.36
AOC3 Q16853 1/20 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
SCHEMBL6627765 0.86 PARP1 (0.44) PARP1MTNR1AMTNR1B
SCHEMBL6625366 0.85 HTT (0.48) PARP1ALDH1A1
SCHEMBL6623518 0.83 CRBN (0.48) PARP1ALDH1A1
SCHEMBL6623902 0.82 PARP1 (0.44) PARP1ALDH1A1MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL6624623 0.81 PARP1 (0.41) PARP1ALDH1A1MTNR1AMTNR1B
SCHEMBL6622849 0.80 TAOK3 (0.38) PARP1ALDH1A1TAOK3
SCHEMBL6624826 0.80 PARP1 (0.45) PARP1
Hydrochloric Acid SCHEMBL6628628 0.80 PARP1 (0.41) PARP1S1PR1ALDH1A1MTNR1AMTNR1B
SCHEMBL6625432 0.79 PARP1 (0.44) PARP1
SCHEMBL6625520 0.79 MEN1 (0.48) PARP1ALDH1A1

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