SCHEMBL11154145

SCHEMBL11154145

Cc1ccc(OCC2CN(C(C)C)C(=O)O2)cn1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 9/20 0.46
CHRNB2 P17787 3/20 0.45
CHRNA4 P43681 3/20 0.45
CHRNB1 P11230 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNB3 Q05901 1/20 0.43
HTR2B P41595 1/20 0.41
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL11160325 0.85 GRM2 (0.62) GRM2HTR2BMAPK1L3MBTL1
SCHEMBL24933695 0.81 GRM2 (0.51) GRM2HTR2BMAPK1L3MBTL1
SCHEMBL3372293 0.81 GRM2 (0.63) GRM2HTR2BMAPK1L3MBTL1
SCHEMBL11161832 0.79 GRM2 (0.50) GRM2HTR2BMAPK1L3MBTL1
SCHEMBL7909523 0.79 GRM2 (0.49) GRM2HTR2BMAPK1L3MBTL1
SCHEMBL11153784 0.78 GRM2 (0.43) GRM2HTR2BMAPK1L3MBTL1
SCHEMBL9636573 0.76 GRM2 (0.47) GRM2HTR2BMAPK1L3MBTL1
SCHEMBL9636582 0.76 GRM2 (0.47) GRM2HTR2BMAPK1L3MBTL1
SCHEMBL11875374 0.75 HTR2B (0.47) GRM2CHRNB4CHRNA3HTR2BMAPK1
SCHEMBL11154054 0.73 ADRB2 (0.45) GRM2HTR2BMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4410530-A CARDIO-SELECTIVE B-RECEPTOR BLOCKING AGENTS AND STIMULANTS CIBA-GEIGY CORPORATION (US) 1983-10-18 US disclosed
US-4195090-A ADRENERGIC BLOCKING AGENTS CIBA-GEIGY CORPORATION (US) 1980-03-25 US disclosed
US-4115575-A CARDIOVASCULAR DISORDERS CIBA-GEIGY CORPORATION (US) 1978-09-19 US disclosed