SCHEMBL13654556

SCHEMBL13654556

N[C@H]1CC[C@@H](Oc2nc(NCCI)nc3c2CCCC3c2ccccc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ KDM1A O60341 1/20 0.32
▸ RCOR1 Q9UKL0 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
SCHEMBL13650589 0.80 HRH3 (0.47) HRH4HRH3
SCHEMBL13650591 0.80 HRH3 (0.47) HRH4HRH3
SCHEMBL13650593 0.72 HRH3 (0.47) HRH4HRH3
SCHEMBL13650592 0.72 HRH3 (0.47) HRH4HRH3
SCHEMBL13650586 0.69 HRH3 (0.45) HRH4HRH3KDM1A
SCHEMBL13650554 0.66 HRH3 (0.46) HRH4HRH3KDM1A
SCHEMBL13650552 0.65 HRH3 (0.47) HRH4HRH3
SCHEMBL13650664 0.65 HRH4 (0.53) HRH4HRH3
SCHEMBL13650667 0.65 HRH3 (0.45) HRH4HRH3
SCHEMBL13650665 0.65 HRH3 (0.45) HRH4HRH3

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
WO-2009123967-A1 5,6,7,8-TETRAHYDROQUINAZOLIN-2-AMINE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H4 RECEPTOR MODULATORS FOR THE TREATMENT OF ASTHMA ABBOTT LABORATORIES (US) 2009-10-08 — — WO disclosed
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