SCHEMBL5708997

SCHEMBL5708997

COc1cccc(CCCOCCCN2CCCC2)c1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.72
SIGMAR1 Q99720 3/20 0.64
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
KMT2A Q03164 1/20 0.57
LTA4H P09960 1/20 0.57
ABCB1 P08183 1/20 0.57
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56

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
SCHEMBL5709087 0.99 HRH3 (0.71) HRH3SIGMAR1KDM4EALDH1A1KMT2A
SCHEMBL22813625 0.90 HRH3 (0.83) HRH3SIGMAR1LTA4HDRD2DRD4
Hydrochloric Acid SCHEMBL10352286 0.88 HRH3 (0.78) HRH3SIGMAR1KDM4EALDH1A1KMT2A
SCHEMBL10669091 0.84 HRH3 (1.00) HRH3SIGMAR1LTA4H
SCHEMBL11778348 0.84 CHRM2 (0.63) HRH3SIGMAR1
SCHEMBL17294993 0.83 HRH3 (0.97) HRH3SIGMAR1LTA4H
SCHEMBL2451796 0.80 SIGMAR1 (0.61) HRH3SIGMAR1LTA4HABCB1
SCHEMBL20233625 0.80 HRH3 (0.70) HRH3SIGMAR1DRD2
SCHEMBL492156 0.80 HRH3 (0.97) HRH3SIGMAR1LTA4H
SCHEMBL2097710 0.79 SIGMAR1 (0.63) HRH3SIGMAR1LTA4HABCB1DRD2

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-1717233-A1 Histamine H3-receptor ligands and their therapeutic application BIOPROJET (FR) 2006-11-02 EP disclosed