SCHEMBL17976091

SCHEMBL17976091

CC[C@@H](N)c1cccc(C)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 1/20 0.45
▸ ACHE P22303 1/20 0.44
▸ SLC6A4 P31645 1/20 0.42
▸ ACP3 P15309 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.39
▸ TACR1 P25103 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ IDO1 P14902 2/20 0.38
▸ CYP19A1 P11511 1/20 0.37
▸ NOS1 P29475 2/20 0.37
▸ NOS2 P35228 2/20 0.37
▸ SCN4A P35499 4/20 0.37
▸ ANPEP P15144 1/20 0.37
▸ ENPEP Q07075 1/20 0.37

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
SCHEMBL4172487 1.00 AOC3 (0.45) AOC3ACHESLC6A4ACP3TAAR1
SCHEMBL5712566 0.87 SLC6A4 (0.48) SLC6A4SCN4AANPEPENPEP
SCHEMBL28337687 0.84 AOC3 (0.42) AOC3ACHESLC6A4ACP3TAAR1
SCHEMBL12056788 0.84 AOC3 (0.42) AOC3ACHESLC6A4ACP3TAAR1
SCHEMBL28337706 0.84 AOC3 (0.42) AOC3ACHESLC6A4ACP3TAAR1
SCHEMBL4277230 0.83 AOC3 (0.45) AOC3ACHEACP3TAAR1TACR1
SCHEMBL30559594 0.82 AOC3 (0.44) AOC3ACHEACP3TAAR1TACR1
SCHEMBL4598026 0.82 AOC3 (0.44) AOC3ACHEACP3TAAR1TACR1
SCHEMBL20274525 0.82 TAAR1 (0.47) AOC3ACHEACP3TAAR1TACR1
SCHEMBL18765644 0.82 AOC3 (0.44) AOC3ACHEACP3TAAR1TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021072156-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 — — WO disclosed
WO-2016131789-A1 BENZOPYRROLIDONE DERIVATIVES POSSESSING ANTIVIRAL AND ANTICANCER PROPERTIES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-08-25 — — WO disclosed
EP-3056202-A1 BENZOPYRROLIDONE DERIVATIVES POSSESSING ANTIVIRAL AND ANTICANCER PROPERTIES Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-08-17 — — EP disclosed
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