SCHEMBL30398431

SCHEMBL30398431

[2H]N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)CC1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.75
▸ SLC2A1 P11166 2/20 0.72
▸ GAA P10253 1/20 0.72
▸ KCNK3 O14649 15/20 0.61
▸ KCNK9 Q9NPC2 15/20 0.61
▸ NPC1 O15118 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL18963146 0.91 KDM4E (0.78) KDM4ESLC2A1GAAKCNK3KCNK9
Hydrochloric Acid SCHEMBL18952318 0.90 KDM4E (0.77) KDM4ESLC2A1GAAKCNK3KCNK9
SCHEMBL29432721 0.89 KCNK3 (0.60) KDM4ESLC2A1GAAKCNK3KCNK9
SCHEMBL17718804 0.84 SLC2A1 (1.00) KDM4ESLC2A1GAAHTT
SCHEMBL18963197 0.82 KDM4E (0.75) KDM4ESLC2A1GAAKCNK3KCNK9
SCHEMBL18963131 0.81 KCNK3 (0.64) KDM4ESLC2A1GAAKCNK3KCNK9
SCHEMBL18938378 0.81 SLC2A1 (0.66) KDM4ESLC2A1GAAKCNK3KCNK9
Hydrochloric Acid SCHEMBL22260956 0.80 KCNK3 (0.63) KDM4ESLC2A1GAAKCNK3KCNK9
SCHEMBL22364213 0.80 KCNK3 (0.76) KDM4ESLC2A1GAAKCNK3KCNK9
SCHEMBL18963312 0.79 KCNK3 (0.62) KDM4ESLC2A1GAAKCNK3KCNK9

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-4175954-A1 COMBINATION OF AN ALPHA2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONIST WITH A TASK1/3 CHANNEL BLOCKER FOR THE TREATMENT OF SLEEP APNEA Bayer Aktiengesellschaft (DE) 2023-05-10 — — EP disclosed
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