SCHEMBL7584002

SCHEMBL7584002

COCCN(C)C(=O)c1ccccc1N(F)CC1=NCCN1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 17/20 0.45
▸ ADRA1B P35368 15/20 0.45
▸ ADRA1D P25100 14/20 0.45
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL7639413 0.81 ADRA1A (0.46) ADRA1AADRA1BADRA1D
SCHEMBL7603676 0.79 ADRA1A (0.62) ADRA1AADRA1BADRA1D
Hydrochloric Acid SCHEMBL7632730 0.79 ADRA1A (0.45) ADRA1AADRA1BADRA1D
Hydrochloric Acid SCHEMBL7630026 0.78 ADRA1A (0.46) ADRA1AADRA1BADRA1DKDM4E
SCHEMBL6367013 0.78 ADRA1A (0.74) ADRA1AADRA1BADRA1D
SCHEMBL13162631 0.67 KMT2A (0.58) KDM4E
SCHEMBL7633527 0.67 TAAR1 (0.45) ADRA1AADRA1BADRA1DKDM4E
Hydrochloric Acid SCHEMBL9655023 0.67 TAAR1 (0.46) ADRA1AADRA1BADRA1DKDM4E
SCHEMBL6372421 0.66 ALDH1A1 (0.49) KDM4E
Hydrochloric Acid SCHEMBL7609579 0.66 ADRA1A (0.48) ADRA1AADRA1BADRA1D

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
EP-1175406-A1 IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2002-01-30 — — EP disclosed
WO-2000066563-A1 IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2000-11-09 — — WO disclosed
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