SCHEMBL9324722

SCHEMBL9324722

CCCn1cnc(C2(CC)Cc3ccccc3C2)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.40
ADRA2B P18089 3/20 0.40
ADRA2C P18825 3/20 0.40
ADRA1B P35368 1/20 0.40
QPCT Q16769 1/20 0.35
KDM5A P29375 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
CPB2 Q96IY4 7/20 0.32
CPB1 P15086 3/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 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
SCHEMBL9325735 0.88 ADRA2A (0.42) ADRA2AADRA2BADRA2CADRA1BQPCT
SCHEMBL9325910 0.84 ADRA2A (0.43) ADRA2AADRA2BADRA2CADRA1BMEN1
SCHEMBL9325930 0.83 HPGDS (0.40) ADRA2AADRA2BADRA2CADRA1BQPCT
SCHEMBL9325707 0.80 CYP2E1 (0.35) ADRA2AADRA2BADRA2CADRA1BQPCT
SCHEMBL9325689 0.77 CYP2E1 (0.35) ADRA2AADRA2BADRA2CADRA1BQPCT
SCHEMBL9325885 0.75 ADRA2A (0.35) ADRA2AADRA2BADRA2CADRA1BMEN1
SCHEMBL9325876 0.75 CYP2E1 (0.34) ADRA2AADRA2BADRA2CADRA1B
SCHEMBL31034854 0.73 ADRA2A (0.37) ADRA2AADRA2BADRA2CADRA1B
SCHEMBL31034887 0.72 POLB (0.41) ADRA2AADRA2BADRA2CADRA1B
SCHEMBL31034870 0.72 FAAH (0.39) ADRA2AADRA2BADRA2CADRA1BCPB2

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 5 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
US-5292887-A Antgonists at postsynoptic adrenoreceptors; hypotensive and antidiabetic agents FARMOS-YHTYMA OY (FI) 1994-03-08 US disclosed
CN-1023219-C Substituted imidazole derivatives and their preparation and use FARMOS OY (FI) 1993-12-22 CN disclosed
CN-1043128-A The imdazole derivatives and the preparation thereof that replace FARMOS OY (FI) 1990-06-20 CN disclosed