SCHEMBL29397882

SCHEMBL29397882

CC(C)NC(=O)N1CCc2nc(N=C(N)N)sc2C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 4/20 0.49
▸ ADRA2B P18089 4/20 0.49
▸ ADRA2C P18825 4/20 0.49
▸ GRM5 P41594 12/20 0.38
▸ PKM P14618 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GRAMD1A Q96CP6 1/20 0.34
▸ ATP4A P20648 1/20 0.34
▸ ATP4B P51164 1/20 0.34

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
SCHEMBL10825515 0.82 RAD52 (0.48) ADRA2AADRA2BADRA2CGRM5PKM
SCHEMBL10764703 0.78 GRAMD1A (0.43) SMN1; SMN2NPC1RAB9AGRAMD1A
Dimethylamine SCHEMBL10825447 0.78 DPP4 (0.43) GRM5NPC1RAB9A
SCHEMBL3536220 0.77 GRAMD1A (0.48) ADRA2AADRA2BADRA2CGRAMD1A
SCHEMBL10825441 0.74 GRM5 (0.38) GRM5NPC1RAB9AGRAMD1A
SCHEMBL3538696 0.73 ADRA2A (0.42) ADRA2AADRA2BADRA2CGRM5SMN1; SMN2
SCHEMBL976666 0.72 HDAC3 (0.40) GRM5NPC1RAB9AGRAMD1A
SCHEMBL6210354 0.72 NPC1 (0.52) ADRA2AADRA2BADRA2CGRM5NPC1
SCHEMBL10825455 0.71 GRM5 (0.37) GRM5
SCHEMBL30717388 0.70 GRM5 (0.36) GRM5

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-20230349922-A1 H2 Blockers Targeting Liver Macrophages for the Prevention and Treatment of Liver Disease and Cancer UNIVERSITÉ DE STRASBOURG (FR) 2023-11-02 — — US claimed
EP-4196793-A1 H2 BLOCKERS TARGETING LIVER MACROPHAGES FOR THE PREVENTION AND TREATMENT OF LIVER DISEASE AND CANCER Université de Strasbourg (FR) 2023-06-21 — — EP claimed
WO-2022034121-A1 H2 BLOCKERS TARGETING LIVER MACROPHAGES FOR THE PREVENTION AND TREATMENT OF LIVER DISEASE AND CANCER UNIVERSITÉ DE STRASBOURG (FR) 2022-02-17 — — WO claimed
US-20230349922-A1 H2 Blockers Targeting Liver Macrophages for the Prevention and Treatment of Liver Disease and Cancer UNIVERSITÉ DE STRASBOURG (FR) 2023-11-02 — — US disclosed
EP-4196793-A1 H2 BLOCKERS TARGETING LIVER MACROPHAGES FOR THE PREVENTION AND TREATMENT OF LIVER DISEASE AND CANCER Université de Strasbourg (FR) 2023-06-21 — — EP disclosed
WO-2022034121-A1 H2 BLOCKERS TARGETING LIVER MACROPHAGES FOR THE PREVENTION AND TREATMENT OF LIVER DISEASE AND CANCER UNIVERSITÉ DE STRASBOURG (FR) 2022-02-17 — — WO disclosed
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