SCHEMBL9865618

SCHEMBL9865618

O=C(NC(=NCCCOc1cccc(CN2CCCCC2)c1)Oc1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HRH2 P25021 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52

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
SCHEMBL9865611 1.00 FAAH (0.52) FAAHKDM4EALDH1A1HRH2HRH3
SCHEMBL9593815 0.83 FAAH (0.49) FAAHHRH2HRH3
SCHEMBL9593812 0.83 FAAH (0.49) FAAHHRH2HRH3
SCHEMBL9865051 0.81 SCN5A (0.59) ALDH1A1
SCHEMBL9865046 0.81 SCN5A (0.59) ALDH1A1
SCHEMBL9593372 0.80 FAAH (0.49) FAAHHRH2HRH3
SCHEMBL9593379 0.80 FAAH (0.49) FAAHHRH2HRH3
SCHEMBL9865624 0.80 KDM4E (0.59) KDM4EALDH1A1HRH2HRH3
SCHEMBL10837381 0.79 KDM4E (0.74) KDM4EALDH1A1HRH2HRH3
SCHEMBL9867943 0.78 KDM4E (0.47) FAAHKDM4EALDH1A1HRH2HRH3

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-5021431-A H-1 antagonist, h-2 agonist for treating hypertension, cardiac disease or arterial occlusion HEUMANN PHARMA GMBH & CO. (DE) 1991-06-04 US disclosed