SCHEMBL6624000

SCHEMBL6624000

CN(C)C1CCc2c(-c3ccccc3)[nH]c3cccc1c23

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.45
ACHE P22303 1/20 0.39
HTR2C P28335 3/20 0.38
HTR2A P28223 3/20 0.38
HTR1A P08908 2/20 0.36
HTR7 P34969 2/20 0.36
DRD2 P14416 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 SCHEMBL6622794 0.99 PARP1 (0.44) PARP1ACHEHTR2CHTR2AHTR1A
SCHEMBL6625270 0.85 HTR1A (0.43) PARP1HTR2CHTR2AHTR1AHTR7
SCHEMBL6624045 0.80 PARP1 (0.48) PARP1HTR2CHTR2ADRD2
SCHEMBL6622880 0.80 PARP1 (0.48) PARP1HTR2CHTR2ADRD2
SCHEMBL6625091 0.80 MAPT (0.39) PARP1ACHE
SCHEMBL6624826 0.79 PARP1 (0.45) PARP1HTR2CHTR2ADRD2
Hydrochloric Acid SCHEMBL6624304 0.79 MAPT (0.38) PARP1ACHE
Hydrochloric Acid SCHEMBL6626987 0.78 PARP1 (0.47) PARP1HTR2CHTR2ADRD2
SCHEMBL6625432 0.75 PARP1 (0.44) PARP1HTR2CHTR2ADRD2
SCHEMBL6624741 0.74 PARP1 (0.43) PARP1HTR2CHTR2ADRD2

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