Cyclohexylamine

Cyclohexylamine

SCHEMBL8037697

NC1CCCCC1.NCC(N)C(=O)O.O=Cc1ccc(F)cc1

nearest known ligand 0.41

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Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.41
GRIK2 Q13002 1/20 0.41
DPEP1 P16444 1/20 0.41
CACNA1B Q00975 2/20 0.40
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KIF11 P52732 3/20 0.35
AGER Q15109 2/20 0.35
MTNR1A P48039 1/20 0.35
HSD11B1 P28845 1/20 0.34
NPC1 O15118 1/20 0.33

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 SCHEMBL8037696 1.00 GRIK1 (0.41) GRIK1GRIK2DPEP1CACNA1BKMT2A
4-Hydroxybenzaldehyde SCHEMBL8037276 0.89 ALDH5A1 (0.41) GRIK1GRIK2KMT2AALDH1A1RAB9A
4-Hydroxybenzaldehyde SCHEMBL8037281 0.89 ALDH5A1 (0.41) GRIK1GRIK2KMT2AALDH1A1RAB9A
Benzaldehyde SCHEMBL8035694 0.88 KIF11 (0.42) GRIK1GRIK2KMT2AALDH1A1KIF11
Cyclohexylamine SCHEMBL8037511 0.88 GRIK1 (0.42) GRIK1GRIK2DPEP1KMT2AALDH1A1
Cyclohexylamine SCHEMBL8037514 0.88 GRIK1 (0.42) GRIK1GRIK2DPEP1KMT2AALDH1A1
Cyclohexylamine SCHEMBL8037416 0.88 ALDH1A1 (0.47) GRIK1GRIK2KMT2AALDH1A1RAB9A
Cyclohexylamine SCHEMBL8037421 0.88 ALDH1A1 (0.47) GRIK1GRIK2KMT2AALDH1A1RAB9A
Lysine SCHEMBL8037528 0.87 GSR (0.44) GRIK1GRIK2DPEP1CACNA1BKMT2A
Lysine SCHEMBL8037527 0.87 GSR (0.44) GRIK1GRIK2DPEP1CACNA1BKMT2A

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