SCHEMBL8260747

SCHEMBL8260747

O=C(NCCN1CCOCC1)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2sc(C(=O)NO)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 19/20 0.58
LMNA P02545 1/20 0.49

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
SCHEMBL5805497 1.00 TACR2 (0.58) TACR2LMNA
SCHEMBL8261102 0.85 HDAC1 (0.62)
SCHEMBL5823705 0.85 HDAC1 (0.62)
SCHEMBL8260757 0.83 HDAC1 (0.57)
SCHEMBL5806429 0.83 HDAC1 (0.57)
SCHEMBL8255875 0.83 HDAC1 (0.61) TACR2
SCHEMBL5808394 0.83 HDAC1 (0.61) TACR2
SCHEMBL8260441 0.83 HDAC1 (0.54) TACR2
SCHEMBL5810675 0.83 HDAC1 (0.54) TACR2
SCHEMBL8260464 0.81 HDAC1 (0.55) TACR2

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-2006101454-A1 BENZOTHIOPHENE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2006-09-28 WO disclosed