SCHEMBL9040302

SCHEMBL9040302

COc1ccc2c(c1)C1(CCCCc3ccccc31)N(C)C2

nearest known ligand 0.87

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 6/20 0.49
DRD5 P21918 5/20 0.49
DRD2 P14416 4/20 0.49
DRD4 P21917 4/20 0.49
DRD3 P35462 4/20 0.49
SIGMAR1 Q99720 1/20 0.47
AKR1B1 P15121 1/20 0.47

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
SCHEMBL9041165 0.96 DRD1 (0.50) DRD1DRD5DRD2DRD4DRD3
SCHEMBL9040970 0.87 SIGMAR1 (0.46) SIGMAR1AKR1B1
SCHEMBL9040626 0.85 DRD1 (0.47) DRD1DRD5DRD2DRD4DRD3
SCHEMBL9037928 0.82 KDM1A (0.46) SIGMAR1AKR1B1
SCHEMBL9038214 0.82 DRD1 (0.47) DRD1DRD5DRD2DRD4DRD3
SCHEMBL9040756 0.78 DRD1 (0.48) DRD1DRD5DRD2DRD4DRD3
SCHEMBL9038313 0.76 MAPK1 (0.42) SIGMAR1
SCHEMBL9039535 0.71 AKR1B1 (0.46) SIGMAR1AKR1B1
SCHEMBL9040061 0.69 SIGMAR1 (0.50) SIGMAR1
SCHEMBL9039447 0.69 SIGMAR1 (0.46) DRD1DRD5DRD2DRD4DRD3

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