Acetonitrile

Acetonitrile

SCHEMBL27369932

CC#N.Cc1c(C2CC2)ncc(F)c1Cl

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.32
OPRL1 P41146 2/20 0.30
PDE10A Q9Y233 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
SCHEMBL27369933 0.92 PDE10A (0.34) OPRL1PDE10A
Acetaldehyde SCHEMBL7997949 0.84 SCN2B (0.32) OPRL1PDE10A
Alcohol SCHEMBL27451741 0.84 OPRL1 (0.33) OPRL1PDE10A
SCHEMBL6486723 0.77 SCN2B (0.33) OPRL1
Acetonitrile SCHEMBL27367377 0.76
SCHEMBL7502558 0.69 SLC6A3 (0.33)
SCHEMBL25928306 0.68 HDAC4 (0.33)
SCHEMBL7500689 0.66 ITGB3 (0.32)
SCHEMBL27610939 0.66
SCHEMBL13153481 0.66 DAO (0.33)

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
CN-1137273-A Quinolizinone type compounds ABBOTT LAB (US) 1996-12-04 CN claimed
CN-1053188-C Quinolizinone type compounds ABBOTT LAB (US) 2000-06-07 CN disclosed
CN-1137273-A Quinolizinone type compounds ABBOTT LAB (US) 1996-12-04 CN disclosed