Cyclohexylamine

Cyclohexylamine

SCHEMBL8035138

NC1CCCCC1.NCC(N)C(=O)O.O=Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.46
GRIK2 Q13002 1/20 0.46
EPHX1 P07099 3/20 0.41
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 2/20 0.39
GRM8 O00222 1/20 0.38
GRM6 O15303 1/20 0.38
GRM4 Q14833 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
POLB P06746 1/20 0.37
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
MEN1 O00255 1/20 0.36

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 SCHEMBL8035135 1.00 GRIK1 (0.46) GRIK1GRIK2EPHX1ALDH1A1SMN1; SMN2
Lysine SCHEMBL7803085 0.88 MMP2 (0.43) GRIK1GRIK2EPHX1ALDH1A1SMN1; SMN2
Lysine SCHEMBL7803083 0.88 MMP2 (0.43) GRIK1GRIK2EPHX1ALDH1A1SMN1; SMN2
3-Nitrobenzaldehyde SCHEMBL8039156 0.88 KMO (0.46) EPHX1ALDH1A1SMN1; SMN2GRM8GRM6
3-Nitrobenzaldehyde SCHEMBL8039154 0.88 KMO (0.46) EPHX1ALDH1A1SMN1; SMN2GRM8GRM6
Cyclohexylamine SCHEMBL7800696 0.87 ALDH1A1 (0.43) EPHX1ALDH1A1SMN1; SMN2KMT2AL3MBTL1
Lysine SCHEMBL8039332 0.85 MMP2 (0.41) GRIK1GRIK2EPHX1ALDH1A1SMN1; SMN2
Lysine SCHEMBL8025522 0.85 MMP2 (0.41) GRIK1GRIK2EPHX1ALDH1A1SMN1; SMN2
Cyclohexylamine SCHEMBL8025550 0.85 ALDH5A1 (0.42) ALDH1A1GRM8GRM6GRM4KDM4E
Cyclohexylamine SCHEMBL8025542 0.85 ALDH5A1 (0.42) ALDH1A1GRM8GRM6GRM4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127381-A A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY LION BIOSCIENCE AG (DE) 2000-10-03 US disclosed