SCHEMBL17121952

SCHEMBL17121952

B[C@H]1CCc2cc(OC)ccc2C1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 7/20 0.57
▸ DRD3 P35462 7/20 0.57
▸ CA1 P00915 3/20 0.52
▸ CA2 P00918 3/20 0.52
▸ ACHE P22303 3/20 0.52
▸ CYP19A1 P11511 2/20 0.52
▸ CYP26A1 O43174 1/20 0.52
▸ DRD4 P21917 2/20 0.48
▸ MTNR1A P48039 1/20 0.48
▸ MTNR1B P49286 1/20 0.48
▸ DRD1 P21728 1/20 0.47
▸ DRD5 P21918 1/20 0.47

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
SCHEMBL16233625 0.81 DRD2 (0.58) DRD2DRD3CA1CA2ACHE
SCHEMBL629616 0.81 DRD2 (0.58) DRD2DRD3CA1CA2ACHE
SCHEMBL16233624 0.81 DRD2 (0.58) DRD2DRD3CA1CA2ACHE
SCHEMBL7958191 0.79 DRD2 (0.58) DRD2DRD3CA1CA2ACHE
SCHEMBL19900934 0.79 DRD2 (0.87) DRD2DRD3CA1CA2ACHE
SCHEMBL16019151 0.79 DRD2 (0.57) DRD2DRD3CA1CA2ACHE
SCHEMBL264631 0.79 DRD2 (0.87) DRD2DRD3CA1CA2ACHE
Hydrochloric Acid SCHEMBL2991649 0.78 DRD2 (0.84) DRD2DRD3CA1CA2ACHE
SCHEMBL8624827 0.77 CA1 (0.64) DRD2DRD3CA1CA2ACHE
SCHEMBL8237115 0.77 CA1 (0.64) DRD2DRD3CA1CA2ACHE

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
EP-2501678-B1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2015-09-23 — — EP disclosed
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