SCHEMBL9388170

SCHEMBL9388170

O=c1cc(-c2ccccc2)oc2cc(OCCN3CCNCC3)ccc12

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.66
BCHE P06276 3/20 0.66
ACHE P22303 3/20 0.66

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
SCHEMBL9388136 0.95 SIGMAR1 (0.71) SIGMAR1
SCHEMBL24046867 0.88 BCHE (0.81) SIGMAR1BCHEACHE
SCHEMBL9386248 0.85 BCHE (0.63) BCHEACHE
SCHEMBL9206183 0.81 BCHE (0.61) SIGMAR1BCHEACHE
SCHEMBL10025659 0.81 SIGMAR1 (0.76) SIGMAR1BCHEACHE
SCHEMBL8786302 0.80 SIGMAR1 (1.00) SIGMAR1
SCHEMBL25222792 0.79 HRH3 (0.71)
SCHEMBL7933564 0.79 SIGMAR1 (0.73) SIGMAR1
SCHEMBL8786618 0.79 SIGMAR1 (1.00) SIGMAR1
SCHEMBL8786351 0.79 SIGMAR1 (1.00) SIGMAR1

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
WO-1994001434-A1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES AS PAF ANTAGONISTS LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1994-01-20 WO disclosed