SCHEMBL6622880

SCHEMBL6622880

NC1CCc2c(-c3ccccc3)[nH]c3cccc1c23

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.48
HTR2A P28223 3/20 0.38
KCNH2 Q12809 3/20 0.38
HTR2C P28335 2/20 0.38
DRD2 P14416 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 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
Hydrochloric Acid SCHEMBL6626987 0.99 PARP1 (0.47) PARP1HTR2AKCNH2HTR2CDRD2
SCHEMBL6623975 0.89 PARP1 (0.39) PARP1HTR2C
SCHEMBL6623507 0.88 MAPT (0.39) PARP1HTR2C
SCHEMBL6628751 0.88 ESR1 (0.39) PARP1HTR2CESR1ESR2
SCHEMBL6624238 0.88 KDM4E (0.39) PARP1HTR2AHTR2CDRD2TUBB4A
SCHEMBL6625155 0.88 KDM4E (0.39) PARP1KCNH2HTR2C
SCHEMBL8221147 0.84 PARP1 (0.54) PARP1
SCHEMBL6623262 0.84 PARP1 (0.54) PARP1HTR2CDRD2TUBB4ATUBB
SCHEMBL6624045 0.83 PARP1 (0.48) PARP1HTR2AKCNH2HTR2CDRD2
SCHEMBL6622301 0.81 PARP1 (0.41) PARP1HTR2AKCNH2HTR2C

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