SCHEMBL11287182

SCHEMBL11287182

O=C1COC2(CCN(CCCC(=O)c3ccc(Cl)cc3)CC2)CN1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 13/20 0.57
▸ ADRA1A P35348 3/20 0.57
▸ DRD3 P35462 8/20 0.53
▸ DRD4 P21917 6/20 0.53
▸ HTR1A P08908 3/20 0.53
▸ HTR2A P28223 3/20 0.53
▸ HTR2C P28335 3/20 0.53
▸ HRH1 P35367 3/20 0.53
▸ HTR7 P34969 2/20 0.53
▸ HTR2B P41595 2/20 0.53
▸ ADRA2A P08913 2/20 0.53
▸ ADRA2B P18089 2/20 0.53
▸ ADRA2C P18825 2/20 0.53
▸ ADRA1B P35368 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ CACNA1F O60840 1/20 0.53
▸ KCNK2 O95069 1/20 0.53
▸ ABCB11 O95342 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ ADRB2 P07550 1/20 0.53

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
SCHEMBL11285348 0.90 DRD2 (0.45) DRD2ADRA1ADRD3DRD4HTR1A
SCHEMBL11288334 0.89 DRD2 (0.53) DRD2ADRA1ADRD3DRD4HTR1A
SCHEMBL11280131 0.89 DRD2 (0.57) DRD2ADRA1ADRD3DRD4HTR1A
SCHEMBL11277513 0.89 DRD2 (0.56) DRD2ADRA1ADRD3DRD4HTR1A
SCHEMBL11285556 0.89 DRD2 (0.44) DRD2ADRA1ADRD3DRD4
SCHEMBL11283016 0.87 DRD2 (0.53) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL11277984 0.86 DRD2 (0.47) DRD2ADRA1ADRD3DRD4HTR2A
SCHEMBL11282980 0.85 DRD2 (0.41) DRD2ADRA1ADRD3DRD4HTR1A
SCHEMBL11292863 0.83 DRD2 (0.51) DRD2ADRA1ADRD3DRD4HTR1A
SCHEMBL11285822 0.80 LMNA (0.54) DRD2ADRA2ACHRM2CYP2D6TSHR

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-4353900-A HYPOTENSIVE, ANTIARRHYTHMIA, CARDIOTONIC, VASODILATORS SYNTEX (U.S.A.) INC. (US) 1982-10-12 — — US disclosed
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