SCHEMBL9145145

SCHEMBL9145145

c1ccc(CC2COC(N3CCN(CC4CCc5sccc5C4)CC3)CO2)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.45
HTR1A P08908 9/20 0.45
GRIN2B Q13224 3/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
TMEM97 Q5BJF2 1/20 0.33
ACHE P22303 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL9179397 0.83 SIGMAR1 (0.55) SIGMAR1HTR1AGRIN2BDRD2DRD3
SCHEMBL9178363 0.75 SIGMAR1 (0.41) SIGMAR1HTR1AGRIN2BDRD2DRD3
SCHEMBL9174172 0.75 SIGMAR1 (0.43) SIGMAR1HTR1AGRIN2BHTR6
SCHEMBL9175467 0.74 SIGMAR1 (0.40) SIGMAR1HTR1AGRIN2BTMEM97
SCHEMBL8304636 0.72 OPRM1 (0.41) HTR1ADRD2DRD3
SCHEMBL2688223 0.72 GRIN2B (0.55) SIGMAR1HTR1AGRIN2B
SCHEMBL8306497 0.71 SIGMAR1 (0.42) SIGMAR1HTR1ATMEM97
SCHEMBL8303444 0.70 SIGMAR1 (0.55) SIGMAR1DRD2
SCHEMBL8303871 0.69 OPRM1 (0.42) SIGMAR1HTR1ADRD2ACHE
SCHEMBL1038534 0.69 SIGMAR1 (0.43) SIGMAR1HTR6

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-5464834-A Antidepressants, central nervous system ADIR ET COMPAGNIE (FR) 1995-11-07 US disclosed