Sugi Predict

Sugi Predict / Compounds / SCHEMBL6824949

SCHEMBL6824949

SCHEMBL6824949

Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 20/20 1.00
▸ ADRA2C P18825 20/20 1.00
▸ ADRA2B P18089 17/20 1.00

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
SCHEMBL6818823 0.89 ADRA2A (0.80) ADRA2AADRA2CADRA2B
SCHEMBL6821475 0.88 ADRA2A (0.79) ADRA2AADRA2CADRA2B
SCHEMBL6821547 0.85 ADRA2A (1.00) ADRA2AADRA2CADRA2B
SCHEMBL6921692 0.85 ADRA2A (0.86) ADRA2AADRA2CADRA2B
SCHEMBL6824787 0.85 ADRA2A (0.84) ADRA2AADRA2CADRA2B
SCHEMBL6822398 0.84 ADRA2A (1.00) ADRA2AADRA2CADRA2B
SCHEMBL6821471 0.82 ADRA2A (0.94) ADRA2AADRA2CADRA2B
SCHEMBL6821552 0.80 ADRA2A (1.00) ADRA2AADRA2CADRA2B
SCHEMBL6821541 0.80 ADRA2A (0.69) ADRA2AADRA2CADRA2B
SCHEMBL6919670 0.78 ADRA2A (0.64) ADRA2AADRA2CADRA2B

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
WO-2004067513-A1 ANTAGONISTS FOR ALPHA-2 ADRENOCEPTORS OY JUVANTIA PHARMA LTD (FI) 2004-08-12 — — WO claimed
WO-2004067513-A1 ANTAGONISTS FOR ALPHA-2 ADRENOCEPTORS OY JUVANTIA PHARMA LTD (FI) 2004-08-12 — — WO disclosed