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Cyclohexane

Cyclohexane

SCHEMBL2467082

C1CCCCC1.O=C(O)Nc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nc1

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 11/20 0.61
▸ DGAT1 O75907 1/20 0.56
▸ GBA1 P04062 1/20 0.54
▸ DCTPP1 Q9H773 2/20 0.53
▸ LMNA P02545 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ HTT P42858 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.52

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
SCHEMBL1094467 0.88 DGAT1 (0.54) SCDDGAT1
SCHEMBL2429972 0.86 SCD (0.60) SCDDCTPP1LMNASMN1; SMN2MAPT
SCHEMBL1096003 0.85 SCD (0.67) SCDDCTPP1LMNASMN1; SMN2KDM4E
SCHEMBL1095356 0.85 SCD (0.65) SCDDCTPP1
SCHEMBL2429706 0.84 SCD (0.58) SCDDCTPP1LMNASMN1; SMN2HTT
SCHEMBL14261640 0.84 SCD (0.61) SCDDCTPP1LMNASMN1; SMN2KDM4E
SCHEMBL1095895 0.83 SCD (0.65) SCDDCTPP1LMNASMN1; SMN2KDM4E
SCHEMBL27657512 0.83 SCD (0.56) SCDDGAT1DCTPP1LMNASMN1; SMN2
SCHEMBL1095915 0.83 SCD (0.75) SCDDCTPP1LMNASMN1; SMN2KDM4E
Cyclopropane SCHEMBL2470823 0.82 SCD (0.67) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651606-B1 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2012-10-24 — — EP claimed
EP-1846035-B1 COMBINATION THERAPY XENON PHARMACEUTICALS INC (CA) 2011-09-21 — — EP claimed