Cyclohexane

Cyclohexane

SCHEMBL2492289

C1CCCCC1.NCC(N)C1CCCCC1

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.59
TP53 P04637 1/20 0.54
KDM4E B2RXH2 1/20 0.52
GMNN O75496 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 1/20 0.43
DPP4 P27487 1/20 0.42
SHBG P04278 1/20 0.40

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
SCHEMBL8070691 1.00 EPHX1 (0.59) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL671850 1.00 EPHX1 (0.59) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL21656667 1.00 EPHX1 (0.59) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL5700121 1.00 EPHX1 (0.59) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL672135 1.00 EPHX1 (0.59) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL670619 1.00 EPHX1 (0.59) EPHX1TP53KDM4EGMNNLMNA
Hydrochloric Acid SCHEMBL8201526 0.97 EPHX1 (0.56) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL4609721 0.97
SCHEMBL15531073 0.92
Hydrochloric Acid SCHEMBL30866173 0.89 KDM4E (0.46) EPHX1TP53KDM4EGMNNLMNA

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-2379491-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-10-26 EP disclosed
WO-2010069778-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-24 WO disclosed