Cyclohexylamine

Cyclohexylamine

SCHEMBL8634493

NC1CCCCC1.O=C(O)[C@@H]1CCCN1C(=O)C1Cc2ccccc2CO1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.44
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACE P12821 1/20 0.40
PREP P48147 7/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA5 P08648 1/20 0.38
ITGA4 P13612 1/20 0.38

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
SCHEMBL8633734 0.77 KLK7 (0.43) PREP
Cyclohexylamine SCHEMBL8638110 0.77 F2 (0.46) F2ALDH1A1SMN1; SMN2ACECHRM2
SCHEMBL7297481 0.74 ALDH1A1 (0.55) F2ALDH1A1SMN1; SMN2ACEPREP
SCHEMBL30292048 0.72 SMN1; SMN2 (0.54) SMN1; SMN2
SCHEMBL8634605 0.72 SMN1; SMN2 (0.54) SMN1; SMN2
SCHEMBL7295630 0.71 F2 (0.60) F2ALDH1A1SMN1; SMN2ACEPREP
SCHEMBL7294364 0.70 F2 (0.56) F2ALDH1A1SMN1; SMN2ACEPREP
SCHEMBL28302296 0.69 FFAR2 (0.47)
SCHEMBL6435623 0.69 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2ACEPREPCHRM2
SCHEMBL6435625 0.69 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2ACEPREPCHRM2

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