SCHEMBL9617443

SCHEMBL9617443

COc1cc2c(cc1OC)[C@H](C)N1CCc3cc(OC)c(OC)cc3[C@@H]1C2

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.61
MAOA P21397 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.55
DRD1 P21728 9/20 0.54
CA7 P43166 1/20 0.53
DRD2 P14416 7/20 0.53
HTR1A P08908 1/20 0.53
BRD4 O60885 2/20 0.52

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
SCHEMBL15610205 1.00 RAD52 (0.61) RAD52MAOASMN1; SMN2DRD1CA7
SCHEMBL15610096 1.00 RAD52 (0.61) RAD52MAOASMN1; SMN2DRD1CA7
SCHEMBL14234700 1.00 RAD52 (0.61) RAD52MAOASMN1; SMN2DRD1CA7
SCHEMBL14234697 1.00 RAD52 (0.61) RAD52MAOASMN1; SMN2DRD1CA7
SCHEMBL14234719 0.92 DRD2 (0.64) RAD52MAOASMN1; SMN2DRD1DRD2
SCHEMBL14235282 0.92 DRD2 (0.64) RAD52MAOASMN1; SMN2DRD1DRD2
SCHEMBL14234720 0.92 DRD2 (0.64) RAD52MAOASMN1; SMN2DRD1DRD2
SCHEMBL15611358 0.89 DRD1 (0.57) RAD52DRD1DRD2HTR1A
SCHEMBL14235260 0.89 DRD1 (0.57) RAD52DRD1DRD2HTR1A
SCHEMBL14235259 0.84 DRD1 (0.59) RAD52MAOADRD1DRD2HTR1A

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
JP-4036239-A None JP disclosed
JP-H0436239-A ANTI-HBV AGENT FUJIREBIO INC 1992-02-06 JP disclosed
EP-0108147-B1 USE OF A PROTOBERBERINE ALKALOID AND COMPOSITION CONTAINING SAME MAROKO, Peter R. (US) 1988-08-17 EP disclosed
EP-0108147-A4 Use of a protoberberine alkaloid and composition containing same. MAROKO PETER R 1984-09-13 EP disclosed
EP-0108147-A1 Use of a protoberberine alkaloid and composition containing same. MAROKO PETER R 1984-05-16 EP disclosed
WO-1983003970-A1 COMPOUNDS, COMPOSITIONS AND METHOD OF TREATMENT FOR IMPROVING CIRCULATORY PERFORMANCE MAROKO PETER R 1983-11-24 WO disclosed