SCHEMBL9532066

SCHEMBL9532066

CCCC1(CCC)[CH]c2ccccc2C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.34
KDM1A O60341 2/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
DRD3 P35462 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KMT2A Q03164 1/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
GAA P10253 1/20 0.30
ADRA1B P35368 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
SCHEMBL9532397 0.83 NPSR1 (0.37) MAOBDRD3KDM4EADRA2AADRA2B
SCHEMBL9531785 0.83 SIGMAR1 (0.35) KDM1AMAOAMAOB
SCHEMBL9531388 0.81 ALOX12 (0.36) ALOX12KDM1AMAOAMAOBDRD3
SCHEMBL9530955 0.72 KMT2A (0.38) ALOX12KDM4EADRA2AADRA2BADRA2C
SCHEMBL9532323 0.71 MAOB (0.36) KDM1AMAOBKDM4EL3MBTL1NPSR1
SCHEMBL9531466 0.71 SIGMAR1 (0.34) ALOX12KDM1AMAOAMAOBKDM4E
SCHEMBL9532845 0.71 CHRM2 (0.31) KDM1AMAOAMAOB
SCHEMBL2581169 0.70 MAOB (0.33) MAOBKMT2AALDH1A1
SCHEMBL7159531 0.69 ALDH1A1 (0.37) ALOX12ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL29174116 0.68 MAOB (0.32) MAOBKDM4EKMT2AALDH1A1GAA

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-0314852-B1 Process for the preparation of 1-substituted imidazole-carbonic acid and derivatives CIBA GEIGY AG (CH) 1993-11-18 EP disclosed
US-4921955-A Process for the synthesis of 1-substituted imidazole-5-carboxylic acids and carboxylic acid derivatives CIBA-GEIGY CORPORATION (US) 1990-05-01 US disclosed
EP-0314852-A2 Process for the preparation of 1-substituted imidazole-carbonic acid and derivatives CIBA-GEIGY AG (CH) 1989-05-10 EP disclosed