SCHEMBL9326644

SCHEMBL9326644

CCCC1(c2cncn2CC)Cc2ccccc2C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
ADRA1B P35368 2/20 0.40
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
QPCT Q16769 1/20 0.32
LCK P06239 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
SCHEMBL9325531 0.88 ADRA2A (0.49) ADRA2AADRA2BADRA2CADRA1BHTR7
SCHEMBL9326469 0.80 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1BQPCT
SCHEMBL9326821 0.76 NPSR1 (0.37) ADRA1BHTR7HTR6
SCHEMBL9324769 0.75 CYP11B2 (0.46) ADRA2AADRA2BADRA2CADRA1B
SCHEMBL31034847 0.72 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1BQPCT
SCHEMBL9325913 0.72 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1BQPCT
SCHEMBL9325707 0.69 CYP2E1 (0.35) ADRA2AADRA2BADRA2CADRA1BQPCT
SCHEMBL18826054 0.68 ADRA2A (0.78) ADRA2AADRA2BADRA2CADRA1B
SCHEMBL9325885 0.67 ADRA2A (0.35) ADRA2AADRA2BADRA2CADRA1B
SCHEMBL3904093 0.66 ADRA2A (0.50) 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 2 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 disclosed
US-5292887-A Antgonists at postsynoptic adrenoreceptors; hypotensive and antidiabetic agents FARMOS-YHTYMA OY (FI) 1994-03-08 US disclosed