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SCHEMBL322774

SCHEMBL322774

CC(C)(C)OC(=O)CCN1CCOC(c2ccc(Oc3c(Cl)cccc3Cl)c(Cl)c2)C1.CC(C)(C)OC(=O)CCN1CCOC(c2ccc(S(=O)(=O)c3ccccc3)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 7/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CNR2 P34972 4/20 0.35
▸ MOGAT2 Q3SYC2 1/20 0.34
▸ HTR6 P50406 2/20 0.33
▸ RXRB P28702 1/20 0.32

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
SCHEMBL15153633 0.91 DRD3 (0.42) DRD3MEN1KMT2ACNR2RXRB
SCHEMBL15153644 0.86 MEN1 (0.46) DRD3MEN1KMT2ACNR2MOGAT2
SCHEMBL324057 0.85 DRD3 (0.39) DRD3MEN1KMT2ACNR2MOGAT2
SCHEMBL323335 0.84 MEN1 (0.40) DRD3MEN1KMT2ACNR2MOGAT2
SCHEMBL323972 0.82 CNR2 (0.44) DRD3MEN1KMT2ACNR2
SCHEMBL324653 0.82 DRD3 (0.43) DRD3MEN1KMT2ACNR2
Hydrochloric Acid SCHEMBL323747 0.81 DRD3 (0.43) DRD3MEN1KMT2ACNR2
SCHEMBL12003732 0.80 DRD3 (0.43) DRD3MEN1KMT2A
SCHEMBL323965 0.79 MEN1 (0.41) DRD3MEN1KMT2ACNR2MOGAT2
SCHEMBL1438291 0.77 CNR2 (0.41) DRD3MEN1KMT2ACNR2MOGAT2

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-2590954-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-05-15 — — EP disclosed
WO-2012004375-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2012-01-12 — — WO disclosed