SCHEMBL7326245

SCHEMBL7326245

O=C(N1CCNCC1)n1c(=O)ccc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.44
▸ HRH4 Q9H3N8 3/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ CA12 O43570 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ BRPF1 P55201 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ KAT2B Q92831 1/20 0.40
▸ BRD9 Q9H8M2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ TGM2 P21980 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CHKA P35790 1/20 0.39
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ HTR3E A5X5Y0 1/20 0.36

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
SCHEMBL7312792 0.82 AKR1C3 (0.50) POLBTSHR
SCHEMBL10662835 0.81 CA12 (0.53) CA12BRD4BRPF1CA9KAT2B
SCHEMBL5925648 0.76 NOTUM (0.51) SIGMAR1HRH4HRH3POLBRXFP1
SCHEMBL6367385 0.73 DAO (0.46) SIGMAR1HRH4HRH3KDM4E
SCHEMBL7317404 0.73 CA12 (0.46) SIGMAR1HRH4HRH3CA12BRD4
SCHEMBL6581393 0.72 CA12 (0.52) CA12BRD4BRPF1CA9KAT2B
SCHEMBL30672091 0.71 CA12 (0.55) CA12BRD4BRPF1CA9KAT2B
SCHEMBL6568800 0.71 CA12 (0.55) CA12BRD4BRPF1CA9KAT2B
SCHEMBL6195893 0.69 RAB9A (0.56) CA12BRD4BRPF1CA9KAT2B
SCHEMBL30804587 0.69 RAB9A (0.56) CA12BRD4BRPF1CA9KAT2B

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-0202760-A2 Carbostyril derivatives and salts thereof, processes for preparing the same and cardiotonic composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-11-26 — — EP claimed
CN-1102527-A Piperazinocarbonylcarbostyrils as peripheral vasodilators OTSUKA PHARMA CO LTD (JP) 1995-05-10 — — CN disclosed
CN-1102527-A Piperazinocarbonylcarbostyrils as peripheral vasodilators OTSUKA PHARMA CO LTD (JP) 1995-05-10 — — CN disclosed
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