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SCHEMBL476225

SCHEMBL476225

O=C(NC(=O)C1(NCc2ccccc2)CCNCC1)c1sc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1OCCCO

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 12/20 0.38
▸ TP53 P04637 4/20 0.33
▸ MDM2 Q00987 4/20 0.33
▸ MAPT P10636 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ORAI1 Q96D31 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL476391 0.97 CNR1 (0.39) CNR1TP53MDM2MAPTORAI1
SCHEMBL476386 0.94 CNR1 (0.36) CNR1TP53MDM2
SCHEMBL476352 0.91 CNR1 (0.37) CNR1TP53MDM2
SCHEMBL476344 0.87 CNR1 (0.31) CNR1
SCHEMBL476255 0.87 PTGDR2 (0.34) CNR1
SCHEMBL476234 0.86 TP53 (0.36) CNR1TP53MDM2MAPTKDM4E
SCHEMBL476316 0.86 CNR1 (0.37) CNR1TP53MDM2
SCHEMBL476375 0.85 CNR1 (0.37) CNR1TP53MDM2
SCHEMBL476266 0.85 CNR1 (0.36) CNR1TP53MDM2
SCHEMBL476431 0.84 CNR1 (0.36) CNR1TP53MDM2MAPT

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-2411383-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 — — EP disclosed
WO-2010109150-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 — — WO disclosed