SCHEMBL4935868

SCHEMBL4935868

CC(C)(C)c1cccc(-c2ccc(C(=O)N3CCCCCCCCCCC4CCC3CN(c3ncccn3)C4)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A7 Q99884 18/20 0.51
▸ SLC6A3 Q01959 2/20 0.51
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 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
SCHEMBL3588181 0.83 SLC6A7 (0.72) SLC6A7SLC6A3RXRARXRBALDH1A1
SCHEMBL4396815 0.73 SLC6A7 (0.72) SLC6A7SLC6A3ALDH1A1TSHR
SCHEMBL3583118 0.67 SLC6A7 (0.75) SLC6A7SLC6A3ALDH1A1TSHR
SCHEMBL3779038 0.66 SLC6A7 (0.79) SLC6A7SLC6A3ALDH1A1TSHR
SCHEMBL3577951 0.66 SLC6A7 (0.81) SLC6A7ALDH1A1TSHR
SCHEMBL3578242 0.65 SLC6A7 (1.00) SLC6A7SLC6A3ALDH1A1TSHR
SCHEMBL3575523 0.64 SLC6A7 (0.92) SLC6A7SLC6A3ALDH1A1TSHR
SCHEMBL3578676 0.63 SLC6A7 (0.83) SLC6A7ALDH1A1TSHR
SCHEMBL3576023 0.63 SLC6A7 (0.61) SLC6A7ALDH1A1TSHR
SCHEMBL3576021 0.63 SLC6A7 (0.61) SLC6A7ALDH1A1TSHR

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 disclosed
WO-2006124748-A2 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE LEXICON GENETICS INCORPORATED (US) 2006-11-23 — — WO disclosed
Send feedback