SCHEMBL30416749

SCHEMBL30416749

O=C(Cc1c(-c2ccc(Cl)cc2)nc2ccccn12)N1CCNCC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GABRA2 P47869 1/20 0.63
▸ GABRB2 P47870 1/20 0.63
▸ SLC2A2 P11168 1/20 0.60
▸ KCNK3 O14649 8/20 0.56
▸ KCNK9 Q9NPC2 8/20 0.56
▸ KDM4E B2RXH2 4/20 0.56
▸ GAA P10253 1/20 0.54
▸ SLC2A1 P11166 1/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL13234 0.87 GABRA2 (0.63) GABRA2GABRB2SLC2A2KCNK3KCNK9
SCHEMBL30417903 0.84 KCNK3 (0.58) GABRA2GABRB2SLC2A2KCNK3KCNK9
SCHEMBL18963146 0.82 KDM4E (0.78) KCNK3KCNK9KDM4EGAASLC2A1
Hydrochloric Acid SCHEMBL18952318 0.81 KDM4E (0.77) KCNK3KCNK9KDM4EGAASLC2A1
SCHEMBL8208 0.80 KDM4E (0.64) GABRB2SLC2A2KCNK3KCNK9KDM4E
SCHEMBL30417684 0.79 KCNK3 (0.49) SLC2A2KCNK3KCNK9KDM4EGAA
SCHEMBL30417709 0.78 KCNK3 (0.49) SLC2A2KCNK3KCNK9KDM4EGAA
SCHEMBL30417727 0.77 KCNK3 (0.68) KCNK3KCNK9
SCHEMBL30417581 0.77 KCNK3 (0.61) KCNK3KCNK9
SCHEMBL7231287 0.76 KCNK3 (0.65) KCNK3KCNK9KDM4EGAASLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4452264-A1 COMBINATION OF A TASK1/3 CHANNEL BLOCKER WITH A NOREPINEPHRINE REUPTAKE INHIBITOR FOR THE TREATMENT OF SLEEP APNEA Bayer Aktiengesellschaft (DE) 2024-10-30 — — EP disclosed
EP-4452263-A1 COMBINATION OF A TASK1/3 CHANNEL BLOCKER WITH A P2X3 RECEPTOR ANTAGONIST FOR THE TREATMENT OF SLEEP APNEA Bayer Aktiengesellschaft (DE) 2024-10-30 — — EP disclosed
WO-2023118126-A1 COMBINATION OF A TASK1/3 CHANNEL BLOCKER WITH A NOREPINEPHRINE REUPTAKE INHIBITOR FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2023-06-29 — — WO disclosed
Send feedback