SCHEMBL9039447

SCHEMBL9039447

COc1ccc2c(c1)C1(CCCCc3ccccc31)OC2=N

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.46
DRD2 P14416 2/20 0.40
DRD1 P21728 2/20 0.40
DRD4 P21917 2/20 0.40
DRD5 P21918 2/20 0.40
DRD3 P35462 2/20 0.40
KDM1A O60341 1/20 0.39
POLA1 P09884 2/20 0.39

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
SCHEMBL9042535 0.96 SIGMAR1 (0.47) SIGMAR1DRD2DRD1DRD4DRD5
SCHEMBL9037721 0.88 SIGMAR1 (0.46) SIGMAR1
SCHEMBL9039874 0.84 SIGMAR1 (0.47) SIGMAR1KDM1A
SCHEMBL9851214 0.83 KDM1A (0.46) SIGMAR1KDM1A
SCHEMBL9039157 0.71 AKR1B1 (0.53) SIGMAR1
SCHEMBL28344489 0.71 DRD2 (0.38) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9039535 0.70 AKR1B1 (0.46) SIGMAR1
SCHEMBL9040302 0.69 DRD1 (0.49) SIGMAR1DRD2DRD1DRD4DRD5
SCHEMBL9037531 0.69 AVPR1A (0.52) KDM1A
SCHEMBL9037851 0.68 AKR1B1 (0.56)

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
EP-0441598-B1 Spiroisoindole compounds ZENECA INC (US) 1996-09-04 EP disclosed