Cyclohexylamine

Cyclohexylamine

SCHEMBL8638110

NC1CCCCC1.O=C(O)[C@@H]1CCCN1C(=O)C1OCCc2ccccc21

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.46
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
KMT2A Q03164 1/20 0.40
ACE P12821 1/20 0.39
RAB9A P51151 1/20 0.39
HSD11B1 P28845 1/20 0.39
ITGB3 P05106 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGAV P06756 1/20 0.37
ITGA5 P08648 1/20 0.37
ITGA4 P13612 1/20 0.37

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
SCHEMBL8634808 0.92 F2 (0.47) F2ALDH1A1SMN1; SMN2CHRM2CHRM4
SCHEMBL8636416 0.77 F2 (0.43) F2ALDH1A1KMT2ARAB9A
Cyclohexylamine SCHEMBL8634493 0.77 F2 (0.44) F2ALDH1A1SMN1; SMN2CHRM2CHRM4
Cyclohexylamine SCHEMBL8638115 0.71 RAB9A (0.38) ALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL31445349 0.71 RAB9A (0.57) ALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL8837269 0.71 F2 (0.45) F2
SCHEMBL2720399 0.71 RAB9A (0.57) ALDH1A1SMN1; SMN2KMT2ARAB9A
Hydrochloric Acid SCHEMBL11349059 0.70 RAB9A (0.56) ALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL25398545 0.69 HSD11B1 (0.49) HSD11B1
SCHEMBL16244206 0.68 RAB9A (0.57) ALDH1A1SMN1; SMN2KMT2ARAB9A

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