SCHEMBL6780800

SCHEMBL6780800

COc1cc2nc(N(C)CCN(C)C(=O)c3cc(C)c(O)c(C)c3)nc(N)c2cc1OC

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.61
ADRA1A P35348 2/20 0.61
ADRA1B P35368 2/20 0.61
HTR1A P08908 1/20 0.61

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
SCHEMBL6779130 0.93 ADRA1D (0.60) ADRA1DADRA1AADRA1BHTR1A
SCHEMBL6784767 0.79 ADRA1D (0.46) ADRA1DADRA1AADRA1BHTR1A
SCHEMBL6779969 0.78 ADRA1D (0.51) ADRA1DADRA1AADRA1BHTR1A
SCHEMBL13941828 0.75 LMNA (0.68) ADRA1DADRA1AADRA1B
SCHEMBL6781915 0.75 ADRA1D (0.53) ADRA1DADRA1AADRA1BHTR1A
SCHEMBL14292897 0.75 LMNA (0.63) ADRA1DADRA1AADRA1BHTR1A
SCHEMBL6779429 0.74 GLA (0.54) ADRA1DADRA1AADRA1B
SCHEMBL6781233 0.74 ADRA1D (0.54) ADRA1DADRA1AADRA1BHTR1A
SCHEMBL3921653 0.73 GLA (0.64) ADRA1DADRA1AADRA1B
SCHEMBL8116591 0.72 GLA (0.63) ADRA1DADRA1AADRA1B

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-6706705-B1 SLOW AND CONTINUOUS BLOOD PRESSURE REDUCING ACTION AND IS USEFUL AS AN ANTIHYPERTENSIVE AGENT NIPPON CHEMIPHAR CO., LTD. (JP) 2004-03-16 US disclosed
EP-0794178-A1 QUINAZOLINE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1997-09-10 EP disclosed