SCHEMBL6622337

SCHEMBL6622337

Nc1ccc(-c2[nH]c3c(Cl)ccc4c3c2CCC4N)cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
PTK2B Q14289 1/20 0.37
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
KCNH2 Q12809 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
SCHEMBL6626429 0.91 HTT (0.38) HTTPTK2BCYP11B1CYP11B2HTR2A
Hydrochloric Acid SCHEMBL8221158 0.90 HTT (0.37) HTTPTK2BCYP11B1CYP11B2HTR2A
SCHEMBL6623725 0.89 HTT (0.36) HTTPTK2BCYP11B1CYP11B2
SCHEMBL6623857 0.88 HTT (0.38) HTTPTK2BHTR2AHTR2CKCNH2
SCHEMBL6623107 0.86 HTT (0.35) HTTPTK2BCYP11B1CYP11B2
SCHEMBL6624969 0.85 CYP11B1 (0.43) HTTPTK2BCYP11B1CYP11B2HTR2A
SCHEMBL6623511 0.84 HTT (0.36) HTTPTK2B
Hydrochloric Acid SCHEMBL6625955 0.83 PARP1 (0.40) HTTPTK2B
SCHEMBL6624473 0.81 MAPT (0.36) HTTPTK2B
SCHEMBL6623975 0.79 PARP1 (0.39) HTR2C

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