SCHEMBL5815706

SCHEMBL5815706

CC(C)(C)OC(=O)N(c1ccc2[nH]ncc2c1)C1CCNC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 10/20 0.49
▸ SLC6A4 P31645 10/20 0.49
▸ SLC6A3 Q01959 10/20 0.49
▸ CYP2D6 P10635 8/20 0.38
▸ POLB P06746 1/20 0.37
▸ ROCK2 O75116 5/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ ROCK1 Q13464 2/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ MC4R P32245 1/20 0.35

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
SCHEMBL5823064 0.78 TACR1 (0.48) SLC6A2SLC6A4SLC6A3CYP2D6MC4R
SCHEMBL23632625 0.77 SLC6A4 (0.47) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL27906127 0.77 SLC6A4 (0.36) SLC6A2SLC6A4SLC6A3CYP2D6MC4R
SCHEMBL27946025 0.76 TACR1 (0.52) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL5923826 0.75 SLC6A4 (0.41) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL6121889 0.74 SLC6A3 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL2578935 0.73 SLC6A4 (0.34) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL5408143 0.72 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3CYP2D6ROCK2
SCHEMBL6557924 0.71 MC4R (0.50) SLC6A2SLC6A4SLC6A3CYP2D6POLB
SCHEMBL529996 0.71 SLC6A4 (0.36) SLC6A2SLC6A4SLC6A3CYP2D6

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
WO-2006135383-A2 INDAZOLES MYRIAD GENETICS, INC. (US) 2006-12-21 — — WO disclosed
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