SCHEMBL4695679

SCHEMBL4695679

Clc1cccc(-c2ccc(CC3CC4CCC(C3)N4c3ncccn3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC6A7 Q99884 12/20 0.57
▸ SLC6A3 Q01959 2/20 0.49
▸ TAAR1 Q96RJ0 2/20 0.43
▸ MAOB P27338 2/20 0.40
▸ GRM2 Q14416 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PDE4A P27815 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
SCHEMBL14197025 0.81 SLC6A7 (0.55) SLC6A7SLC6A3TAAR1KDM4EALDH1A1
SCHEMBL3581805 0.77 SLC6A7 (0.58) SLC6A7SLC6A3PDE4A
SCHEMBL3572446 0.77 SLC6A7 (0.70) SLC6A7SLC6A3
SCHEMBL13780807 0.70 SLC6A7 (0.46) SLC6A7SLC6A3TAAR1KDM4EALDH1A1
SCHEMBL14175664 0.64 SLC6A7 (0.58) SLC6A7SLC6A3ALDH1A1
SCHEMBL19190790 0.64 POLB (0.51) TAAR1MAOBGRM2
SCHEMBL16394285 0.63 TAAR1 (0.71) TAAR1MAOB
SCHEMBL31491189 0.63 TAAR1 (0.71) TAAR1MAOB
SCHEMBL3585163 0.63 SLC6A7 (0.56) SLC6A7SLC6A3PDE4A
SCHEMBL1135093 0.63 SLC6A7 (0.68) SLC6A7SLC6A3KDM4E

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-1893212-A2 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2008-03-05 — — EP claimed
WO-2006124748-A2 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE LEXICON GENETICS INCORPORATED (US) 2006-11-23 — — WO claimed
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