SCHEMBL9317007

SCHEMBL9317007

COC(=O)c1ccnc(NCCCN2CCN(c3cc(Cl)ccc3OC)CC2)n1

nearest known ligand 0.87

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 9/20 0.87
ADRA1A P35348 9/20 0.87
ADRA1B P35368 9/20 0.87
HTR1A P08908 5/20 0.56
LMNA P02545 1/20 0.49
DRD2 P14416 1/20 0.47
DRD4 P21917 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
SCHEMBL9468949 0.95 ADRA1A (0.78) ADRA1DADRA1AADRA1BHTR1ALMNA
SCHEMBL5597266 0.93 ADRA1D (1.00) ADRA1DADRA1AADRA1BHTR1ALMNA
SCHEMBL9193925 0.93 ADRA1D (0.87) ADRA1DADRA1AADRA1BHTR1ALMNA
SCHEMBL9469237 0.90 ADRA1A (0.70) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL9197544 0.89 ADRA1D (0.80) ADRA1DADRA1AADRA1BHTR1ALMNA
Fumaric Acid SCHEMBL5459952 0.88 ADRA1D (0.91) ADRA1DADRA1AADRA1BHTR1ALMNA
SCHEMBL9201007 0.88 ADRA1A (0.82) ADRA1DADRA1AADRA1BHTR1ADRD2
Fumaric Acid SCHEMBL5459957 0.88 ADRA1D (0.91) ADRA1DADRA1AADRA1BHTR1ALMNA
SCHEMBL9274801 0.88 ADRA1A (0.79) ADRA1DADRA1AADRA1BHTR1ALMNA
SCHEMBL9486450 0.88 ADRA1A (0.73) ADRA1DADRA1AADRA1BHTR1ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5330985-A Adrenergic blocking agents; urogenital disorders SYNTHELABO (FR) 1994-07-19 US disclosed
US-5262486-A Modified emulsion polymers, in particular for photopolymerizable recording materials which can be developed in water and aqueous solvents BASF AKTIENGESELLSCHAFT (DE) 1993-11-16 US disclosed
US-5244894-A Treating disorders involving hyperactivity of the alpha 1-adrenergic system in lower urinary tract SYNTHELABO 1993-09-14 US disclosed
US-5102773-A For production of printing plates BASF AKTIENGESELLSCHAFT (DE) 1992-04-07 US disclosed