Cyclohexylamine

Cyclohexylamine

SCHEMBL8035113

NC1CCCCC1.NCC(=O)O.O=Cc1ccc2cccc(O)c2n1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D

The experimentally established mechanism targets of Cyclohexylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.44
MEN1 O00255 8/20 0.44
NPC1 O15118 8/20 0.44
KDM4E B2RXH2 6/20 0.44
RAB9A P51151 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 2/20 0.44
PIM1 P11309 1/20 0.43
MAPT P10636 5/20 0.42
LMNA P02545 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
CD74 P04233 1/20 0.40
MIF P14174 1/20 0.40
CCR1 P32246 1/20 0.39
AGTR1 P30556 2/20 0.38
HSP90AA1 P07900 2/20 0.38
HTT P42858 2/20 0.38
PLAU P00749 1/20 0.38
NCF1 P14598 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37

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 SCHEMBL7792748 0.92 KDM4E (0.49) KMT2AMEN1NPC1KDM4ERAB9A
Cyclohexylamine SCHEMBL8025671 0.88 KMT2A (0.40) KMT2AMEN1NPC1KDM4ERAB9A
Cyclohexylamine SCHEMBL8025677 0.88 KMT2A (0.40) KMT2AMEN1NPC1KDM4ERAB9A
Lysine SCHEMBL8035596 0.84 GSR (0.38) KMT2AMEN1NPC1KDM4ERAB9A
Lysine SCHEMBL8035593 0.84 GSR (0.38) KMT2AMEN1NPC1KDM4ERAB9A
Cyclohexylamine SCHEMBL7798429 0.83 KDM4E (0.44) NPC1KDM4ERAB9ASMN1; SMN2POLB
Cyclohexylamine SCHEMBL8039390 0.82 TSHR (0.36) KMT2AMEN1NPC1KDM4ERAB9A
SCHEMBL29694379 0.78 KDM4E (0.64) KMT2AMEN1NPC1KDM4ERAB9A
SCHEMBL29406155 0.78 KDM4E (0.64) KMT2AMEN1NPC1KDM4ERAB9A
SCHEMBL279696 0.78 KDM4E (0.64) KMT2AMEN1NPC1KDM4ERAB9A

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