SCHEMBL20445919

SCHEMBL20445919

[CH2]CC1CCN(c2ccnc(N)n2)CC1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.68
▸ HRH4 Q9H3N8 3/20 0.56
▸ CDK1 P06493 1/20 0.42
▸ OGA O60502 1/20 0.42
▸ ROCK1 Q13464 6/20 0.41
▸ SORD Q00796 1/20 0.41
▸ PRKCQ Q04759 1/20 0.39
▸ BTK Q06187 1/20 0.38
▸ MAP3K14 Q99558 1/20 0.38

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
SCHEMBL17626798 0.82 HRH3 (0.64) HRH3HRH4CDK1ROCK1SORD
SCHEMBL3784623 0.81 HRH3 (1.00) HRH3HRH4OGAROCK1PRKCQ
SCHEMBL17626780 0.81 HRH3 (0.81) HRH3HRH4OGAROCK1MAP3K14
SCHEMBL22616978 0.80 HRH3 (0.73) HRH3HRH4OGAROCK1
Hydrochloric Acid SCHEMBL3781024 0.80 HRH3 (0.97) HRH3HRH4OGAROCK1PRKCQ
SCHEMBL13018541 0.79 HRH3 (0.60) HRH3HRH4CDK1ROCK1PRKCQ
SCHEMBL28555574 0.77 HRH3 (0.57) HRH3HRH4CDK1SORDPRKCQ
SCHEMBL20507928 0.77 HRH3 (0.57) HRH3HRH4BTK
SCHEMBL17626748 0.77 HRH3 (0.71) HRH3HRH4OGAROCK1SORD
SCHEMBL14880196 0.77 HRH3 (0.71) HRH3HRH4OGAROCK1SORD

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-3355699-A1 BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING SUV39H2 OncoTherapy Science, Inc. (JP) 2018-08-08 — — EP disclosed
Send feedback