SCHEMBL9468949

SCHEMBL9468949

COC(=O)c1ccnc(NCCN2CCN(c3cc(Cl)ccc3OC)CC2)n1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 10/20 0.78
ADRA1D P25100 9/20 0.78
ADRA1B P35368 9/20 0.78
LMNA P02545 1/20 0.52
HTR1A P08908 6/20 0.51
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44

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
SCHEMBL9317007 0.95 ADRA1D (0.87) ADRA1AADRA1DADRA1BLMNAHTR1A
SCHEMBL9486450 0.93 ADRA1A (0.73) ADRA1AADRA1DADRA1BLMNAHTR1A
SCHEMBL9200004 0.93 ADRA1A (0.90) ADRA1AADRA1DADRA1BLMNAHTR1A
SCHEMBL9200264 0.93 ADRA1A (0.78) ADRA1AADRA1DADRA1BLMNAHTR1A
SCHEMBL9316681 0.90 ADRA1A (0.66) ADRA1AADRA1DADRA1BHTR1ADRD2
SCHEMBL9193925 0.88 ADRA1D (0.87) ADRA1AADRA1DADRA1BLMNAHTR1A
SCHEMBL5597266 0.88 ADRA1D (1.00) ADRA1AADRA1DADRA1BLMNAHTR1A
SCHEMBL9197027 0.86 ADRA1A (0.70) ADRA1AADRA1DADRA1BLMNAHTR1A
SCHEMBL9266162 0.84 ADRA1A (0.65) ADRA1AADRA1DADRA1BLMNAHTR1A
SCHEMBL9202997 0.84 ADRA1A (0.65) ADRA1AADRA1DADRA1BLMNAHTR1A

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
US-5244894-A Treating disorders involving hyperactivity of the alpha 1-adrenergic system in lower urinary tract SYNTHELABO 1993-09-14 US disclosed
US-5212280-A POLYCARBONATE FROM SPECIAL DIHYDROXYDIPHENYL BICYCLOALKANE BAYER AKTIENGESELLSCHAFT (DE) 1993-05-18 US disclosed