SCHEMBL9744796

SCHEMBL9744796

CCCCCN(CCCCC)CCCN=C=NCC

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
NAAA Q02083 1/20 0.38
DNM1 Q05193 3/20 0.33
DRD2 P14416 2/20 0.31
OPRM1 P35372 2/20 0.31
DRD3 P35462 2/20 0.31
OPRD1 P41143 2/20 0.31
OPRK1 P41145 2/20 0.31
KDM5A P29375 2/20 0.30
PHF8 Q9UPP1 2/20 0.30
KDM4C Q9H3R0 1/20 0.30

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
Hydrochloric Acid SCHEMBL19582944 0.98 CYP1A2 (0.60) CYP1A2CYP2D6NAAADNM1DRD2
Hydrochloric Acid SCHEMBL28388391 0.90 CYP1A2 (0.64) CYP1A2CYP2D6NAAA
SCHEMBL97249 0.83 CYP1A2 (0.67) CYP1A2CYP2D6
SCHEMBL18133507 0.83 CYP1A2 (0.58) CYP1A2CYP2D6NAAA
Hydrochloric Acid SCHEMBL251768 0.82 CYP1A2 (0.64) CYP1A2CYP2D6
SCHEMBL9812561 0.81 NAAA (0.56) CYP1A2CYP2D6NAAADNM1
SCHEMBL9812470 0.81 NAAA (0.56) CYP1A2CYP2D6NAAADNM1
SCHEMBL5183227 0.80
SCHEMBL11592977 0.80 NAAA (0.47) CYP1A2CYP2D6NAAADNM1
Hydrochloric Acid SCHEMBL28124752 0.79 NAAA (0.54) CYP1A2CYP2D6NAAADNM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10585094-B2 Devices and methods for nanoparticle enhanced impedance-based molecular sensing THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2020-03-10 US disclosed
US-20180059101-A1 DEVICES AND METHODS FOR NANOPARTICLE ENHANCED IMPEDANCE-BASED MOLECULAR SENSING THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2018-03-01 US disclosed
US-5171738-A Lipopolysaccharides from gram negative bacteria immobilized on insoluble carrier TORAY INDUSTRIES, INC. (JP) 1992-12-15 US disclosed