SCHEMBL11245432

SCHEMBL11245432

Cc1ccc2c(c1)OC(CCO)CO2

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.56
MTNR1A P48039 1/20 0.45
GAA P10253 2/20 0.44
HSD17B10 Q99714 1/20 0.44
FFAR1 O14842 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 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
SCHEMBL6984007 0.87 CA2 (0.58) CA2MTNR1AGAAHSD17B10FFAR1
SCHEMBL29444746 0.87 CA2 (0.58) CA2MTNR1AGAAHSD17B10FFAR1
SCHEMBL29481813 0.87 CA2 (0.58) CA2MTNR1AGAAHSD17B10FFAR1
SCHEMBL6984001 0.87 CA2 (0.58) CA2MTNR1AGAAHSD17B10FFAR1
SCHEMBL11235851 0.84 CA2 (0.56) CA2MTNR1AGAAHSD17B10FFAR1
SCHEMBL8282396 0.82 CA2 (0.59) CA2GAAFFAR1RAB9ASMN1; SMN2
SCHEMBL11027482 0.81 CA2 (0.58) CA2GAAFFAR1HTTRAB9A
SCHEMBL8288367 0.81 CA2 (0.51) CA2MTNR1AGAAHSD17B10RAB9A
SCHEMBL1107090 0.81 CA2 (0.51) CA2MTNR1AGAAHSD17B10RAB9A
SCHEMBL17272701 0.81 CA2 (0.58) CA2GAAFFAR1RAB9AMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4329348-A ANTIDEPRESSANTS AND PSYCHOSTIMULANTS CIBA-GEIGY CORPORATION (US) 1982-05-11 US disclosed
EP-0004358-B1 N-OXACYCLYLALKYL PIPERIDINES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS CIBA-GEIGY AG (CH) 1982-01-06 EP disclosed
EP-0004358-A1 N-oxacyclylalkyl piperidines, process for their preparation, pharmaceutical compositions containing these compounds CIBA-GEIGY AG (CH) 1979-10-03 EP disclosed
US-4129655-A Neuroleptic 2-piperidinoalkyl-1,4-benzodioxans CIBA-GEIGY CORPORATION (US) 1978-12-12 US disclosed
US-4104396-A NEUROLEPTIC, ANALGESIC CIBA-GEIGY CORPORATION (US) 1978-08-01 US disclosed
US-4039676-A NEUROLEPTIC AGENTS CIBA-GEIGY CORPORATION (US) 1977-08-02 US disclosed