Cyclohexylamine

Cyclohexylamine

SCHEMBL8041423

COc1ccc(Oc2cccc(C=O)c2)cc1.NC1CCCCC1.NC[C@H](N)C(=O)O

nearest known ligand 0.43

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.43
GRIK2 Q13002 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
SLC1A5 Q15758 2/20 0.39
EPOR P19235 2/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
TRPM8 Q7Z2W7 3/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
FFAR1 O14842 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 SCHEMBL8041427 1.00 GRIK1 (0.43) GRIK1GRIK2NPC1RAB9ATDP1
Cyclohexylamine SCHEMBL8037294 0.93 EPOR (0.41) GRIK1GRIK2EPORMEN1KMT2A
Cyclohexylamine SCHEMBL8037292 0.93 EPOR (0.41) GRIK1GRIK2EPORMEN1KMT2A
Cyclohexylamine SCHEMBL7801463 0.90 NPC1 (0.46) NPC1RAB9ATDP1CTSLCTSS
Lysine SCHEMBL8035746 0.90 DPP8 (0.41) GRIK1GRIK2NPC1RAB9ATDP1
Lysine SCHEMBL8035745 0.90 DPP8 (0.41) GRIK1GRIK2NPC1RAB9ATDP1
Cyclohexylamine SCHEMBL7800354 0.87 NPC1 (0.50) NPC1RAB9ATDP1MTNR1AMTNR1B
Cyclohexylamine SCHEMBL8035833 0.87 KMO (0.41) GRIK1GRIK2NPC1RAB9AKMT2A
Cyclohexylamine SCHEMBL8035834 0.87 KMO (0.41) GRIK1GRIK2NPC1RAB9AKMT2A
Cyclohexylamine SCHEMBL8041275 0.87 LTA4H (0.40) PPARGPPARAFFAR1NPY5RKIF11

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