SCHEMBL9325913

SCHEMBL9325913

CCC1(c2cncn2C)Cc2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.50
ADRA2B P18089 3/20 0.50
ADRA2C P18825 3/20 0.50
ADRA1B P35368 2/20 0.50
IDO1 P14902 2/20 0.34
HPGDS O60760 1/20 0.33
HTR2C P28335 1/20 0.32
QPCT Q16769 1/20 0.32
ALDH1A1 P00352 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
LDLR P01130 1/20 0.31
PCSK9 Q8NBP7 1/20 0.31

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
SCHEMBL31034847 1.00 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1BIDO1
SCHEMBL9326469 0.84 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1BQPCT
SCHEMBL9325531 0.83 ADRA2A (0.49) ADRA2AADRA2BADRA2CADRA1BIDO1
SCHEMBL9324661 0.75 NPSR1 (0.40) IDO1HTR2CALDH1A1NPSR1
SCHEMBL9327773 0.72 NPSR1 (0.38) IDO1HTR2CALDH1A1NPSR1
SCHEMBL9326644 0.72 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1BQPCT
SCHEMBL3904093 0.69 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1BIDO1
SCHEMBL9325910 0.69 ADRA2A (0.43) ADRA2AADRA2BADRA2CADRA1BALDH1A1
Atipamezole SCHEMBL304971 0.67 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1B
Atipamezole SCHEMBL29357620 0.67 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1B

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 4 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
US-5292887-A Antgonists at postsynoptic adrenoreceptors; hypotensive and antidiabetic agents FARMOS-YHTYMA OY (FI) 1994-03-08 US disclosed