Sugi Predict

Sugi Predict / Compounds / SCHEMBL1601541

SCHEMBL1601541

SCHEMBL1601541

CC(C)CCNC(=O)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 17/20 1.00
▸ DCTPP1 Q9H773 2/20 0.55

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
SCHEMBL1599829 0.89 SCD (0.80) SCD
SCHEMBL1600478 0.89 SCD (0.80) SCDDCTPP1
SCHEMBL1385471 0.88 SCD (0.78) SCDDCTPP1
SCHEMBL1601624 0.88 SCD (0.79) SCDDCTPP1
SCHEMBL1599947 0.87 SCD (0.81) SCDDCTPP1
SCHEMBL1601540 0.86 SCD (1.00) SCDDCTPP1
SCHEMBL14172991 0.86 SCD (0.75) SCDDCTPP1
SCHEMBL1600602 0.86 SCD (0.75) SCD
SCHEMBL2469413 0.85 SCD (0.74) SCDDCTPP1
SCHEMBL1601035 0.85 SCD (0.90) SCDDCTPP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846035-B1 COMBINATION THERAPY XENON PHARMACEUTICALS INC (CA) 2011-09-21 — — EP claimed
EP-1846035-B1 COMBINATION THERAPY XENON PHARMACEUTICALS INC (CA) 2011-09-21 — — EP disclosed
US-7919484-B2 Combination therapy XENON PHARMACEUTICALS INC. (CA) 2011-04-05 — — US disclosed