SCHEMBL9549529

SCHEMBL9549529

N#CC1CC12c1ccccc1C=Cc1ccccc12

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL9549458 0.81 KMT2A (0.44) GAAMAPT
SCHEMBL9543115 0.72 MAOB (0.39)
SCHEMBL14199338 0.70
SCHEMBL9549507 0.67 HTR2A (0.42)
SCHEMBL9544341 0.62 ADORA1 (0.36) GAAMAPT
SCHEMBL9542009 0.62 SMN1; SMN2 (0.40)
SCHEMBL11616386 0.60 KDM4E (0.47) CA1CA2GAAMAPT
SCHEMBL8200284 0.60 MAPK1 (0.47) GAAMAPT
SCHEMBL9005142 0.60
SCHEMBL2826156 0.59 MAPT (0.42) GAAMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5219839-A Analgesics; anticonvulsant and -epileptic agents; antidepressants; anxiolytic, antiarrhythmic and hypotensive agents; anticoagulants LABORATORIES UPSA (FR) 1993-06-15 US disclosed