Cyclohexylamine

Cyclohexylamine

SCHEMBL8035558

NC1CCCCC1.NCC(N)C(=O)O.O=Cc1ccc(F)c(Br)c1

nearest known ligand 0.47

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPEP1 P16444 4/20 0.47
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
IDO1 P14902 2/20 0.36
TDO2 P48775 1/20 0.35
GRIK1 P39086 2/20 0.34
GRIK2 Q13002 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HPGD P15428 1/20 0.32
MAOA P21397 4/20 0.32
MAOB P27338 4/20 0.32
CACNA1B Q00975 2/20 0.32

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 SCHEMBL8035555 1.00 DPEP1 (0.47) DPEP1NPC1RAB9ATDP1IDO1
Cyclohexylamine SCHEMBL7798128 0.89 DPEP1 (0.45) DPEP1NPC1RAB9ATDP1IDO1
Cyclohexylamine SCHEMBL8037697 0.85 GRIK1 (0.41) DPEP1NPC1RAB9AGRIK1GRIK2
Cyclohexylamine SCHEMBL8037514 0.85 GRIK1 (0.42) DPEP1NPC1RAB9AGRIK1GRIK2
Cyclohexylamine SCHEMBL8037696 0.85 GRIK1 (0.41) DPEP1NPC1RAB9AGRIK1GRIK2
Cyclohexylamine SCHEMBL8037511 0.85 GRIK1 (0.42) DPEP1NPC1RAB9AGRIK1GRIK2
Cyclohexylamine SCHEMBL8041252 0.82 TP53 (0.41) NPC1RAB9AMAOAMAOBKIF11
Cyclohexylamine SCHEMBL8039367 0.82 ALDH1A1 (0.47) TDP1ALDH1A1MAOAMAOBKIF11
Cyclohexylamine SCHEMBL8041254 0.82 TP53 (0.41) NPC1RAB9AMAOAMAOBKIF11
Cyclohexylamine SCHEMBL8039363 0.82 ALDH1A1 (0.47) TDP1ALDH1A1MAOAMAOBKIF11

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