SCHEMBL2722513

SCHEMBL2722513

Cc1ccc(C(NC2CCN(C)CC2)c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLKL Q8NB16 3/20 0.51
▸ HRH4 Q9H3N8 3/20 0.43
▸ POLB P06746 3/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ HTR3A P46098 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TRPC3 Q13507 1/20 0.38
▸ FPR1 P21462 1/20 0.37

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
SCHEMBL2720358 0.92 HRH4 (0.45) MLKLHRH4POLBMAPTCYP2D6
SCHEMBL900372 0.88 ALPL (0.41) MLKLHRH4MAPTKMT2AKDM4E
SCHEMBL2722433 0.87 MLKL (0.48) MLKLHRH4POLBMAPTCYP2D6
SCHEMBL20503150 0.84 HRH4 (0.41) MLKLHRH4POLBKMT2AKDM4E
SCHEMBL2722467 0.84 MLKL (0.43) MLKLHRH4POLBMEN1MAPK1
SCHEMBL2722838 0.83 HRH4 (0.40) MLKLHRH4POLBMAPK1KMT2A
SCHEMBL899828 0.83 HRH4 (0.42) MLKLHRH4POLBKMT2AHTR3A
SCHEMBL2720674 0.83 HRH4 (0.40) HRH4POLBHTR3ALMNATSHR
SCHEMBL2722093 0.83 KMT2A (0.41) MLKLHRH4POLBMEN1KMT2A
SCHEMBL2723739 0.83 VCP (0.40) HRH4MAPK1KMT2AHTR3APDE10A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688989-B2 H4 receptor inhibitors for treating tinnitus SENSORION (FR) 2017-06-27 — — US disclosed
EP-2621916-B1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2016-02-10 — — EP disclosed
US-20150176010-A1 H4 RECEPTOR INHIBITORS FOR TREATING TINNITUS SENSORION (FR) 2015-06-25 — — US disclosed
EP-2858647-A1 H4 RECEPTOR INHIBITORS FOR TREATING TINNITUS Sensorion (FR) 2015-04-15 — — EP disclosed
WO-2013182711-A1 H4 RECEPTOR INHIBITORS FOR TREATING TINNITUS SENSORION (FR) 2013-12-12 — — WO disclosed
EP-2447263-A1 Benzazole derivatives as histamine H4 receptor ligands BIOPROJET (FR) 2012-05-02 — — EP disclosed
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