Cyclohexylamine

Cyclohexylamine

SCHEMBL8037307

Cc1cccc(C=O)n1.NC1CCCCC1.NC[C@H](N)C(=O)O

nearest known ligand 0.37

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.37
PPARG P37231 4/20 0.36
PPARA Q07869 4/20 0.36
TSHR P16473 2/20 0.35
GRM5 P41594 3/20 0.33
F2R P25116 2/20 0.32
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 1/20 0.32
GRM4 Q14833 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 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 SCHEMBL8037314 1.00 KIF11 (0.37) KIF11PPARGPPARATSHRGRM5
Lysine SCHEMBL8035744 0.89 GSR (0.40) KIF11PPARGPPARATSHRKMT2A
Lysine SCHEMBL8035739 0.89 GSR (0.40) KIF11PPARGPPARATSHRKMT2A
Cyclohexylamine SCHEMBL8039390 0.87 TSHR (0.36) PPARGPPARATSHRGRM5F2R
Cyclohexylamine SCHEMBL8025677 0.84 KMT2A (0.40) KIF11PPARGPPARANPC1RAB9A
Cyclohexylamine SCHEMBL8025671 0.84 KMT2A (0.40) KIF11PPARGPPARANPC1RAB9A
Benzaldehyde SCHEMBL8035694 0.78 KIF11 (0.42) KIF11PPARGPPARAALDH1A1MEN1
Cyclohexylamine SCHEMBL8039053 0.76 GRIK1 (0.46) KIF11PPARGPPARAALDH1A1KDM4E
Cyclohexylamine SCHEMBL8039051 0.76 GRIK1 (0.46) KIF11PPARGPPARAALDH1A1KDM4E
3-Hydroxybenzaldehyde SCHEMBL8039109 0.76 KYNU (0.40) KIF11PPARGPPARAMEN1KMT2A

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