SCHEMBL9325531

SCHEMBL9325531

CCn1cncc1C1(CC)Cc2ccccc2C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.49
ADRA2B P18089 2/20 0.49
ADRA2C P18825 2/20 0.49
ADRA1B P35368 2/20 0.49
HTR7 P34969 2/20 0.36
HTR6 P50406 2/20 0.36
QPCT Q16769 1/20 0.33
IDO1 P14902 2/20 0.31
HTR1A P08908 1/20 0.31
GABRA5 P31644 1/20 0.31
ALDH1A1 P00352 2/20 0.30
CYP11B1 P15538 2/20 0.30
CYP11B2 P19099 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 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
SCHEMBL9326644 0.88 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1BHTR7
SCHEMBL9326469 0.88 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1BQPCT
SCHEMBL9325913 0.83 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1BQPCT
SCHEMBL31034847 0.83 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1BQPCT
SCHEMBL3904093 0.76 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1BIDO1
SCHEMBL9326821 0.70 NPSR1 (0.37) ADRA1BHTR7HTR6IDO1GABRA5
SCHEMBL9325735 0.67 ADRA2A (0.42) ADRA2AADRA2BADRA2CADRA1BQPCT
Atipamezole SCHEMBL304971 0.66 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1B
Atipamezole SCHEMBL203964 0.65 ADRA2A (0.97) ADRA2AADRA2BADRA2CADRA1B
SCHEMBL9325910 0.65 ADRA2A (0.43) ADRA2AADRA2BADRA2CADRA1BALDH1A1

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
EP-0372954-B1 Substituted imidazole derivatives and their preparation and use ORION YHTYMAE OY (FI) 1994-03-09 EP claimed
US-5292887-A Antgonists at postsynoptic adrenoreceptors; hypotensive and antidiabetic agents FARMOS-YHTYMA OY (FI) 1994-03-08 US claimed
EP-0372954-A1 Substituted imidazole derivatives and their preparation and use ORION-YHTYMÀ„ OY (FI) 1990-06-13 EP claimed
EP-0372954-B1 Substituted imidazole derivatives and their preparation and use ORION YHTYMAE OY (FI) 1994-03-09 EP disclosed
US-5292887-A Antgonists at postsynoptic adrenoreceptors; hypotensive and antidiabetic agents FARMOS-YHTYMA OY (FI) 1994-03-08 US disclosed
EP-0372954-A1 Substituted imidazole derivatives and their preparation and use ORION-YHTYMÀ„ OY (FI) 1990-06-13 EP disclosed