SCHEMBL9325876

SCHEMBL9325876

CCn1cnc(C2(COC)Cc3ccccc3C2)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1B P35368 1/20 0.33
TYRO3 Q06418 1/20 0.33

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 0.86 ADRA2A (0.42) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL9326270 0.86 CDK5 (0.40) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL8766326 0.83 TSHR (0.33) ADRA2AADRA2BADRA2CADRA1B
SCHEMBL9325689 0.83 CYP2E1 (0.35) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL9325707 0.83 CYP2E1 (0.35) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL27261692 0.81 CYP2E1 (0.35) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL9324722 0.75 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1B
SCHEMBL9325930 0.73 HPGDS (0.40) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL9325681 0.70 ADRA2A (0.38) ADRA2AADRA2BADRA2CADRA1B
SCHEMBL9325910 0.70 ADRA2A (0.43) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6

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