Cyclohexylamine

Cyclohexylamine

SCHEMBL9751744

CCCCOC(=O)N(C)[C@@H](COCc1ccccc1)C(=O)O.NC1CCCCC1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TRPM8 Q7Z2W7 4/20 0.39
PPARG P37231 4/20 0.38
PPARA Q07869 3/20 0.38
SIGMAR1 Q99720 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
SLC1A1 P43005 1/20 0.35

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
Cyclohexylamine SCHEMBL8767343 0.83 L3MBTL1 (0.43) ITGB3ITGA2BL3MBTL1TRPM8PPARG
SCHEMBL5194032 0.82 ITGB3 (0.52) ITGB3ITGA2BL3MBTL1ALDH1A1CYP3A4
SCHEMBL8710842 0.75 ITGB3 (0.53) ITGB3ITGA2BL3MBTL1ALDH1A1CYP3A4
SCHEMBL21837387 0.74 ITGB3 (0.47) ITGB3ITGA2BL3MBTL1ALDH1A1MAPK1
SCHEMBL21837512 0.74 ITGB3 (0.47) ITGB3ITGA2BL3MBTL1ALDH1A1MAPK1
SCHEMBL22092025 0.74 ITGB3 (0.49) ITGB3ITGA2BL3MBTL1ALDH1A1CYP3A4
SCHEMBL5192318 0.73 ABCB1 (0.47) ITGB3ITGA2BL3MBTL1ALDH1A1TSHR
SCHEMBL10606737 0.72 CTSK (0.39) ITGB3ITGA2BALDH1A1PPARGCTSL
SCHEMBL24821124 0.71 ITGB3 (0.52) ITGB3ITGA2BL3MBTL1ALDH1A1SIGMAR1
SCHEMBL9087894 0.71 ITGB3 (0.49) ITGB3ITGA2BL3MBTL1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0400065-A4 LHRH ANALOGS 1991-03-13 EP disclosed
EP-0400065-A1 LHRH ANALOGS. ABBOTT LAB (US) 1990-12-05 EP disclosed
WO-1989007450-A1 LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 WO disclosed