SCHEMBL6566757

SCHEMBL6566757

O=C(O)N(CCCN1CCCCC1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.59
ADRA2C P18825 2/20 0.59
HTR2B P41595 2/20 0.59
DRD3 P35462 2/20 0.59
HTR2A P28223 3/20 0.52
CHRM4 P08173 3/20 0.52
HTR3A P46098 1/20 0.52
ALDH1A1 P00352 6/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GFER P55789 1/20 0.48
SIGMAR1 Q99720 2/20 0.47
CHRM2 P08172 2/20 0.47
CHRM5 P08912 2/20 0.47
CHRM1 P11229 2/20 0.47
CHRM3 P20309 2/20 0.47
HTR1A P08908 1/20 0.47
CYP2D6 P10635 1/20 0.47
DRD2 P14416 1/20 0.47

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
SCHEMBL30965977 0.98 ADRA2A (0.57) ADRA2AADRA2CHTR2BDRD3HTR2A
SCHEMBL5758121 0.87 ADRA2C (0.61) ADRA2AADRA2CHTR2BDRD3HTR2A
SCHEMBL13305330 0.79 SIGMAR1 (0.56) SIGMAR1
SCHEMBL5154776 0.78 ADRA2C (0.55) ADRA2CALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL5758222 0.77 OPRM1 (0.53) ADRA2AADRA2CHTR2BDRD3ALDH1A1
SCHEMBL5759101 0.76 HTR7 (0.56) ADRA2AADRA2CHTR2BDRD3SIGMAR1
SCHEMBL4229105 0.76 ADRA2A (0.48) ADRA2AADRA2CHTR2BDRD3HTR2A
SCHEMBL17473048 0.76 NPC1 (0.57) ADRA2CALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL30957362 0.76 NPC1 (0.57) ADRA2CALDH1A1KMT2ASMN1; SMN2POLB
Hydrochloric Acid SCHEMBL7468181 0.76 CCR5 (0.50) ADRA2AADRA2CHTR2BDRD3HTR2A

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
EP-1100503-B1 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H 3?-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ILE BIOPROJET SOC CIV (FR) 2004-09-22 EP claimed