SCHEMBL9038313

SCHEMBL9038313

CN1Cc2ccccc2C12CCc1ccccc12

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOB P27338 3/20 0.42
MAOA P21397 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
KDM1A O60341 1/20 0.41

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
SCHEMBL9037928 0.89 KDM1A (0.46) SIGMAR1KDM1A
SCHEMBL9040970 0.88 SIGMAR1 (0.46) SIGMAR1KDM1A
SCHEMBL9040756 0.79 DRD1 (0.48)
SCHEMBL9040998 0.78 SIGMAR1 (0.47) MAOBMAOASIGMAR1
SCHEMBL9038214 0.78 DRD1 (0.47)
SCHEMBL9041165 0.77 DRD1 (0.50) SIGMAR1
SCHEMBL9040302 0.76 DRD1 (0.49) SIGMAR1
SCHEMBL23385699 0.73 SIGMAR1 (0.44) MAPK1SMN1; SMN2MAOBSIGMAR1ALDH1A1
SCHEMBL18559550 0.72 HTR2A (0.39) MAOBMAOA
SCHEMBL21788652 0.72 SIGMAR1 (0.54) SIGMAR1ALDH1A1TP53

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-0441598-B1 Spiroisoindole compounds ZENECA INC (US) 1996-09-04 EP disclosed
US-5098925-A Neurological disorders in mammals ICI AMERICAS INC. (US) 1992-03-24 US disclosed
EP-0441598-A2 Spiroisoindole compounds ZENECA INC. (US) 1991-08-14 EP disclosed