SCHEMBL10642133

SCHEMBL10642133

COc1cc2c(=O)n(CCN3CCN(c4ccccc4OC)CC3)c(=O)[nH]c2cc1NC(N)=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.68
▸ DRD2 P14416 1/20 0.68
▸ ADRA2B P18089 1/20 0.68
▸ DRD3 P35462 1/20 0.68
▸ HTR7 P34969 1/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ USP2 O75604 1/20 0.59
▸ GAA P10253 1/20 0.59
▸ ADRA1A P35348 8/20 0.59
▸ ADRA1B P35368 8/20 0.59
▸ ADRA1D P25100 7/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ GLA P06280 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ HTR1A P08908 5/20 0.59

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
SCHEMBL10641173 0.97 ADRA2A (0.68) ADRA2ADRD2ADRA2BDRD3HTR7
SCHEMBL10639467 0.94 ADRA2A (0.63) ADRA2ADRD2ADRA2BDRD3HTR7
SCHEMBL10639481 0.94 MEN1 (0.66) ADRA2ADRD2ADRA2BDRD3HTR7
SCHEMBL10642139 0.93 ADRA2A (0.68) ADRA2ADRD2ADRA2BDRD3HTR7
SCHEMBL10637433 0.93 ADRA2A (0.61) ADRA2ADRD2ADRA2BDRD3HTR7
SCHEMBL10642829 0.91 MEN1 (0.66) ADRA2ADRD2ADRA2BDRD3HTR7
SCHEMBL10642692 0.91 ADRA2A (0.63) ADRA2ADRD2ADRA2BDRD3HTR7
SCHEMBL10642783 0.90 ADRA2A (0.70) ADRA2ADRD2ADRA2BDRD3HTR7
SCHEMBL10637406 0.90 ADRA2A (0.68) ADRA2ADRD2ADRA2BDRD3HTR7
SCHEMBL10642921 0.90 ADRA2A (0.61) ADRA2ADRD2ADRA2BDRD3HTR7

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-0161498-B1 PHENYLPIPERAZINE DERIVATIVES AND THEIR ACID ADDITION SALTS MITSUBISHI KASEI CORPORATION (JP) 1988-10-12 — — EP disclosed
US-4716161-A HYPOTENSIVE AGENTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1987-12-29 — — US disclosed
EP-0161498-A1 Phenylpiperazine derivatives and their acid addition salts MITSUBISHI KASEI CORPORATION (JP) 1985-11-21 — — EP disclosed
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