SCHEMBL9466299

SCHEMBL9466299

c1ccc2c(c1)CCC[C@@H]2CCN1CCN(c2cccc3c2CCOO3)CC1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 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
SCHEMBL9175522 1.00 SIGMAR1 (0.47) SIGMAR1DRD2DRD4
SCHEMBL1038532 0.94 HTR2C (0.44)
SCHEMBL9175625 0.94 HTR2C (0.44)
SCHEMBL9178238 0.90
SCHEMBL1037294 0.90
SCHEMBL9467334 0.88 DRD4 (0.50) SIGMAR1DRD2DRD4
SCHEMBL9467351 0.88 DRD4 (0.50) SIGMAR1DRD2DRD4
SCHEMBL9176453 0.84 DRD2 (0.45) SIGMAR1DRD2DRD4
SCHEMBL9467335 0.84 DRD2 (0.45) SIGMAR1DRD2DRD4
SCHEMBL9465608 0.84

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
US-5194437-A Substituted with oxygen containing heterocycle, central nervous system disorders, neuroendocrine disorders ADIR ET COMPAGNIE (FR) 1993-03-16 US disclosed