SCHEMBL8564243

SCHEMBL8564243

[c]1nc(CC2CCCCC2)c[nH]1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.40
HTR3A P46098 1/20 0.40
DAO P14920 1/20 0.34
HRH3 Q9Y5N1 8/20 0.34
CYP11B2 P19099 1/20 0.33
PNP P00491 1/20 0.33
JAK2 O60674 1/20 0.32
ROCK2 O75116 1/20 0.32
GSK3B P49841 1/20 0.32
NLRP3 Q96P20 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL8304796 0.73
SCHEMBL2423141 0.68 KMT2A (0.38) RAB9A
SCHEMBL6449281 0.68 HRH4 (0.44) HRH4HTR3ADAOHRH3CYP11B2
SCHEMBL28853 0.68 HRH4 (0.41) HRH4HTR3ADAOHRH3CYP11B2
SCHEMBL7854169 0.67 HRH4 (0.34) HRH4ALDH1A1
SCHEMBL7845033 0.67 HRH4 (0.34) HRH4ALDH1A1
SCHEMBL956706 0.67 CYP11B2 (0.39) HRH4HTR3ADAOHRH3CYP11B2
SCHEMBL8562907 0.67 HRH4 (0.36) HRH4HTR3ADAOHRH3CYP11B2
SCHEMBL2425560 0.66 KMT2A (0.35) RAB9A
SCHEMBL15414991 0.66 HRH4 (0.36) HRH4HTR3ADAOHRH3CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821675-A1 NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-02-04 EP disclosed
WO-1996033176-A1 NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-10-24 WO disclosed