SCHEMBL18032425

SCHEMBL18032425

Cc1c(Br)cnc(N2CCN(C)CC2)c1N

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 8/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ NSD2 O96028 1/20 0.38
▸ PKM P14618 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
SCHEMBL2402476 0.87 HRH4 (0.50) HRH4HRH3SMN1; SMN2HTTNSD2
SCHEMBL12269865 0.83 HRH4 (0.46) HRH4HRH3SMN1; SMN2HTTNSD2
SCHEMBL18032426 0.75 HRH4 (0.44) HRH4HRH3HTT
SCHEMBL2405631 0.74 MAPT (0.45) HRH4HTT
SCHEMBL10667948 0.73 KDM4E (0.64) HRH4PIK3CAMTORHTTNSD2
SCHEMBL29969981 0.72 HRH4 (0.53) HRH4HRH3SMN1; SMN2HTT
SCHEMBL20605140 0.72 HRH4 (0.53) HRH4HRH3SMN1; SMN2HTT
SCHEMBL14829239 0.70 HRH4 (0.50) HRH4HRH3
SCHEMBL3146942 0.70 HRH4 (0.54) HRH4SMN1; SMN2
SCHEMBL30593370 0.70 HRH4 (0.48) HRH4HRH3SMN1; SMN2HTTNSD2

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-2545058-B1 TETRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS INHIBITORS OF HISTAMINE RECEPTORS KALYPSYS INC (US) 2016-08-24 — — EP disclosed
Send feedback