Cyclohexylamine

Cyclohexylamine

SCHEMBL8637515

NC1CCCCC1.O=C(O)C(Cc1ccccc1)OC1CCCCO1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 3/20 0.45
PPARG P37231 13/20 0.40
PPARA Q07869 11/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
PSAT1 Q9Y617 1/20 0.39

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
SCHEMBL6487486 0.93 SRR (0.48) SRRPPARGPPARAITGB1ITGA4
SCHEMBL13311342 0.93 SRR (0.48) SRRPPARGPPARAITGB1ITGA4
SCHEMBL3881607 0.81 SLC6A3 (0.51) ITGB1ITGA4
Cyclohexylamine SCHEMBL8633674 0.79 SELE (0.38) PPARGPPARA
SCHEMBL1933178 0.78 MEN1 (0.47) SRRPPARGPPARA
SCHEMBL7299501 0.75 SRR (0.57) SRRPPARGPPARA
SCHEMBL7299495 0.75 SRR (0.57) SRRPPARGPPARA
SCHEMBL13311344 0.75 CYP1A2 (0.42) ITGB1ITGA4
SCHEMBL7050550 0.74 SIGMAR1 (0.39) ITGB1ITGA4
SCHEMBL11770475 0.74 ITGB1 (0.40) ITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760235-A DIPEPTIDES BASED ON PROLINE OR PIPECOLIC ACID AND ARGININE ALDEHYDE GYOGYSZERKUTATO INTEZET KFT. (HU) 1998-06-02 US disclosed
EP-0629212-B1 NEW ANTICOAGULANT PEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS WELL AS A PROCESS FOR THE PREPARATION THEREOF GYOGYSZERKUTATO INTEZET (HU) 1997-10-08 EP disclosed
EP-0629212-A1 NEW ANTICOAGULANT PEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS WELL AS A PROCESS FOR THE PREPARATION THEREOF. GYOGYSZERKUTATO INTEZET (HU) 1994-12-21 EP disclosed
WO-1993018060-A1 NEW ANTICOAGULANT PEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS WELL AS A PROCESS FOR THE PREPARATION THEREOF Gyógyszerkutató Intézet Kft. (HU) 1993-09-16 WO disclosed