SCHEMBL9325632

SCHEMBL9325632

CCCC1(c2c[nH]cn2)Cc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ADRA1B P35368 1/20 0.42
ALOX12 P18054 1/20 0.31
TYRO3 Q06418 1/20 0.31
DRD2 P14416 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
Atipamezole SCHEMBL881064 0.88 ADRA2A (0.51) ADRA2AADRA2BADRA2CADRA1B
Atipamezole SCHEMBL31147780 0.86 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1B
Atipamezole SCHEMBL3526769 0.86 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1B
SCHEMBL9325667 0.81 ADRA2A (0.38) ADRA2AADRA2BADRA2CADRA1B
SCHEMBL9325681 0.81 ADRA2A (0.38) ADRA2AADRA2BADRA2CADRA1B
Hydrochloric Acid SCHEMBL9325923 0.80 ADRA2A (0.37) ADRA2AADRA2BADRA2CADRA1B
Atipamezole SCHEMBL31034927 0.79 ADRA2A (0.38) ADRA2AADRA2BADRA2CADRA1B
SCHEMBL8611699 0.76 ADRA2A (0.34) ADRA2AADRA2BADRA2CADRA1B
SCHEMBL9431991 0.75 NPSR1 (0.40) ALOX12
SCHEMBL9325885 0.75 ADRA2A (0.35) 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