SCHEMBL9324682

SCHEMBL9324682

Cn1cnc(C2(CO)Cc3ccccc3C2)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1B P35368 1/20 0.33
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
EHMT2 Q96KQ7 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
MTOR P42345 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
SLC6A9 P48067 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
SCHEMBL9325910 0.86 ADRA2A (0.43) TSHRADRA2AADRA2BADRA2CADRA1B
SCHEMBL9325885 0.84 ADRA2A (0.35) TSHRADRA2AADRA2BADRA2CADRA1B
SCHEMBL8766326 0.82 TSHR (0.33) TSHRADRA2AADRA2BADRA2CADRA1B
SCHEMBL9325689 0.82 CYP2E1 (0.35) ADRA2AADRA2BADRA2CADRA1BCYP2C9
SCHEMBL9324684 0.77 HPGDS (0.40) CYP2C9CYP2C19
SCHEMBL9325667 0.72 ADRA2A (0.38) ADRA2AADRA2BADRA2CADRA1B
Hydrochloric Acid SCHEMBL9325923 0.71 ADRA2A (0.37) ADRA2AADRA2BADRA2CADRA1B
SCHEMBL9324722 0.71 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1BMEN1
SCHEMBL9325735 0.70 ADRA2A (0.42) TSHRADRA2AADRA2BADRA2CADRA1B
SCHEMBL9326720 0.68 NPSR1 (0.40) TSHRADRA1BLMNAMEN1KMT2A

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