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SCHEMBL9265490

SCHEMBL9265490

NC(=O)c1ccc2[nH]cc(CCCCN3CCN(c4ccc(O)cc4)CC3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 2/20 0.80
▸ ADRA2B P18089 2/20 0.80
▸ ADRA2C P18825 2/20 0.80
▸ ADRA1D P25100 2/20 0.80
▸ ADRA1A P35348 2/20 0.80
▸ ADRA1B P35368 2/20 0.80

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
SCHEMBL9268120 0.91 ADRA2A (0.78) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8539343 0.91 ADRA2A (0.78) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9268043 0.91 ADRA2A (0.67) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8543012 0.89 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9264431 0.89 ADRA2A (0.75) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9260103 0.87 ADRA2A (0.75) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8540621 0.86 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9267200 0.86 ADRA2A (0.76) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8539583 0.86 ADRA2A (0.68) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9461196 0.85 ADRA2A (0.92) ADRA2AADRA2BADRA2CADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5418237-A Indole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-05-23 — — US disclosed