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SCHEMBL6246784

SCHEMBL6246784

COC(=O)c1cc2c(cc1NS(C)(=O)=O)[C@@H](N(C)C(=O)OC(C)(C)C)CC[C@H]2c1ccc(Cl)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 15/20 0.55
▸ SLC6A2 P23975 13/20 0.55
▸ SLC6A3 Q01959 13/20 0.55
▸ KDM4E B2RXH2 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ QSOX1 O00391 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
SCHEMBL6246786 1.00 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3KDM4ESMN1; SMN2
SCHEMBL6246785 1.00 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3KDM4ESMN1; SMN2
SCHEMBL6245138 0.93 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3QSOX1
SCHEMBL6245132 0.93 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3QSOX1
SCHEMBL6245136 0.93 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3QSOX1
SCHEMBL6247961 0.88 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3QSOX1
SCHEMBL6247955 0.88 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3QSOX1
SCHEMBL6247959 0.88 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3QSOX1
SCHEMBL6249392 0.84 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3QSOX1
SCHEMBL6249390 0.84 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3QSOX1

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
EP-1157002-B1 1,2,3,4-TETRAHYDRO-1-NAPHTHALENAMINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2005-08-10 — — EP disclosed