SCHEMBL9037683

SCHEMBL9037683

CCCN1Cc2ccccc2C12CCCc1ccccc12

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.49
EBP Q15125 1/20 0.49
OPRM1 P35372 1/20 0.46

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
SCHEMBL9040061 0.96 SIGMAR1 (0.50) SIGMAR1EBPOPRM1
SCHEMBL9040998 0.91 SIGMAR1 (0.47) SIGMAR1EBPOPRM1
SCHEMBL9040103 0.86 SIGMAR1 (0.38) SIGMAR1EBPOPRM1
SCHEMBL9040626 0.84 DRD1 (0.47) SIGMAR1
SCHEMBL9037928 0.80 KDM1A (0.46) SIGMAR1EBP
SCHEMBL9845106 0.76 SIGMAR1 (0.41) SIGMAR1EBP
SCHEMBL9040970 0.75 SIGMAR1 (0.46) SIGMAR1
SCHEMBL9040756 0.73 DRD1 (0.48)
SCHEMBL5573072 0.73 OPRM1 (0.51) SIGMAR1EBPOPRM1
SCHEMBL5569403 0.72 OPRM1 (0.50) SIGMAR1EBPOPRM1

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