SCHEMBL5821754

SCHEMBL5821754

CCCCCN1C(=O)c2cnc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)cc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 13/20 0.53
▸ GBA1 P04062 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ DCTPP1 Q9H773 1/20 0.43

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
SCHEMBL5816372 0.90 SCD (0.45) SCDKDM4ELMNASMN1; SMN2HSD17B10
SCHEMBL5821701 0.86 SCD (0.54) SCDGBA1LMNA
SCHEMBL5818472 0.84 SCD (0.58) SCDGBA1
SCHEMBL5816127 0.84 SCD (0.52) SCDGBA1LMNA
SCHEMBL5816785 0.82 SCD (0.57) SCDGBA1
SCHEMBL5821745 0.76 SCD (0.42) SCDSMN1; SMN2
SCHEMBL5820149 0.76 SCD (0.43) SCDKDM4ELMNASMN1; SMN2HSD17B10
SCHEMBL5821313 0.75 SCD (0.57) SCDGBA1SMN1; SMN2
SCHEMBL1601199 0.75 SCD (0.57) SCDKDM4ELMNASMN1; SMN2DCTPP1
SCHEMBL5816171 0.75 SCD (0.47) SCDKDM4ESMN1; SMN2

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-2006125180-A1 PIPERAZINE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-11-23 — — WO disclosed
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