SCHEMBL9466287

SCHEMBL9466287

Clc1cccc2c1C[C@H]2CCCN1CCN(c2cccc3c2CCOO3)CC1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.43
DRD2 P14416 3/20 0.43
SIGMAR1 Q99720 1/20 0.43
DRD3 P35462 1/20 0.40

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
SCHEMBL9179801 1.00 DRD4 (0.43) DRD4DRD2SIGMAR1DRD3
SCHEMBL9177692 0.94 DRD2 (0.40) DRD2
SCHEMBL9180804 0.94 DRD2 (0.40) DRD2
SCHEMBL9174152 0.88 HTR2C (0.37) DRD4DRD2
SCHEMBL9466380 0.88 HTR2C (0.37) DRD4DRD2
SCHEMBL9467335 0.86 DRD2 (0.45) DRD4DRD2SIGMAR1
SCHEMBL9176453 0.86 DRD2 (0.45) DRD4DRD2SIGMAR1
SCHEMBL9177231 0.83 DRD4 (0.46) DRD4
SCHEMBL9180749 0.83 DRD4 (0.46) DRD4
SCHEMBL9467351 0.82 DRD4 (0.50) DRD4DRD2SIGMAR1

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