Cyclohexylamine

Cyclohexylamine

SCHEMBL6923120

NC1CCCCC1.O=C[C@H](O)[C@@H](Oc1cc2ccccc2[nH]1)[C@H](O)[C@H](OBr)C(=O)OCl

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
SMYD3 Q9H7B4 1/20 0.32
FAAH O00519 1/20 0.32
PDGFRB P09619 2/20 0.31
PDGFRA P16234 2/20 0.31
KDR P35968 1/20 0.31
PPARG P37231 2/20 0.30
PPARA Q07869 2/20 0.30

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
SCHEMBL4925150 0.90 PDGFRB (0.34) PDGFRBPDGFRA
Cyclohexylamine SCHEMBL8057816 0.90 ALDH1A1 (0.35) ALDH1A1SMYD3FAAHPDGFRBPDGFRA
Cyclohexylamine SCHEMBL1254606 0.87 SMYD3 (0.32) ALDH1A1SMYD3FAAHPPARGPPARA
Cyclohexylamine SCHEMBL6146742 0.83 SMYD3 (0.35) ALDH1A1SMYD3FAAHPPARGPPARA
SCHEMBL1246522 0.81 KDM4E (0.36) FAAHPDGFRBPDGFRA
Cyclohexane SCHEMBL8638010 0.79 KDM4E (0.32) ALDH1A1FAAH
SCHEMBL4926350 0.79 FLT3 (0.34) ALDH1A1PDGFRBPDGFRA
SCHEMBL55697 0.76 KDM4E (0.34) PDGFRBPDGFRA
SCHEMBL4608629 0.75 KDM4E (0.33) PDGFRBPDGFRA
Cyclohexylamine SCHEMBL4627987 0.73 SMYD3 (0.36) ALDH1A1SMYD3FAAHPPARGPPARA

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
EP-0763099-A4 MICROBIOLOGICAL MEDIUM BIOLOG INC (US) 2003-04-02 EP disclosed
EP-0763099-A1 MICROBIOLOGICAL MEDIUM BIOLOG, INC. (US) 1997-03-19 EP disclosed
US-5541082-A CULTURE MEDIUM FOR ISOLATION AND IDENTIFICATION OF BACTERIA BIOLOG, INC. (US) 1996-07-30 US disclosed
WO-1995029984-A1 MICROBIOLOGICAL MEDIUM BIOLOG, INC. (US) 1995-11-09 WO disclosed