SCHEMBL6203538

SCHEMBL6203538

CN1CCCC1COc1cccc(N)c1CN

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 P30926 5/20 0.60
▸ CHRNA3 P32297 5/20 0.60
▸ CHRNB2 P17787 2/20 0.56
▸ CHRNA4 P43681 2/20 0.56
▸ CHRNB1 P11230 1/20 0.56
▸ CHRNB3 Q05901 1/20 0.56
▸ NOS3 P29474 1/20 0.51
▸ NOS1 P29475 1/20 0.51
▸ NOS2 P35228 1/20 0.51

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
SCHEMBL5238675 1.00 CHRNB4 (0.60) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL6203979 0.81 CHRNB4 (0.57) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL5238160 0.81 CHRNB4 (0.57) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL23638221 0.78 CHRNB4 (0.54) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL9245004 0.75 CHRNB4 (0.64) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL12232966 0.75 CHRNB4 (0.68) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL9245008 0.75 CHRNB4 (0.64) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL1928412 0.74 CHRNB4 (0.72) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL1928695 0.74 CHRNB4 (0.72) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
Hydrochloric Acid SCHEMBL9241706 0.74 CHRNB4 (0.63) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1507776-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS Amgen Inc. (US) 2005-02-23 — — EP disclosed
WO-2003101985-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC. (US) 2003-12-11 — — WO disclosed
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