SCHEMBL6002917

SCHEMBL6002917

[CH2]CC=Cc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.49
SMPD2 O60906 2/20 0.48
CHAT P28329 5/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
GRIK1 P39086 1/20 0.46
GRIK2 Q13002 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44

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
SCHEMBL9819923 1.00 RXRA (0.49) RXRASMPD2CHATHDAC8HDAC6
SCHEMBL6003040 0.87 RXRA (0.45) RXRASMPD2CHATHDAC8HDAC6
SCHEMBL9819962 0.85 RXRA (0.46) RXRASMPD2CHATHDAC8HDAC6
SCHEMBL9819969 0.85 RXRA (0.46) RXRASMPD2CHATHDAC8HDAC6
SCHEMBL6385852 0.82 RXRA (0.47) RXRASMPD2CHATHDAC8HDAC6
SCHEMBL9819837 0.82 RXRA (0.44) RXRASMPD2CHATHDAC8HDAC6
SCHEMBL9819836 0.82 RXRA (0.44) RXRASMPD2CHATHDAC8HDAC6
SCHEMBL10706687 0.80 CHAT (0.62) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL10706700 0.80 CHAT (0.62) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL10706694 0.80 CHAT (0.62) RXRACHATHDAC8HDAC6MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4672068-A Antihypertensive 1,4-dihydropyridines having a conjugated ester FUJIREBIO KABUSHIKI KAISHA (JP) 1987-06-09 US claimed
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
EP-0733364-A1 MEDICINAL COMPOSITION FOR CIRCULATORY ORGAN NIPPON SHINYAKU COMPANY, LIMITED (JP) 1996-09-25 EP disclosed
US-4987132-A PLATELET ACTIVATING FACTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
EP-0279681-A2 Saturated heterocyclic carboxamide derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-24 EP disclosed