SCHEMBL9052552

SCHEMBL9052552

O=C(O)C(CCc1ccccc1)c1ncc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CPA1 P15085 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CSNK1A1 P48729 1/20 0.39
TYRO3 Q06418 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
GLA P06280 1/20 0.39
GRIK1 P39086 1/20 0.38
CNR2 P34972 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL27302186 0.80 TAAR1 (0.45) TAAR1ADRA2AADRA2BADRA2CTSHR
SCHEMBL9315687 0.80 CPB2 (0.42) ADRA2AADRA2BADRA2CCSNK1A1TYRO3
SCHEMBL18112879 0.78 FPR2 (0.46) ADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL31547895 0.78 TBXAS1 (0.44) ADRA2AADRA2BADRA2CCSNK1A1TYRO3
Hydrochloric Acid SCHEMBL28364020 0.77 TBXAS1 (0.45) ADRA2AADRA2BADRA2CCSNK1A1TYRO3
Bromide SCHEMBL28360500 0.77 TBXAS1 (0.43) ADRA2AADRA2BADRA2CCSNK1A1TYRO3
SCHEMBL28201329 0.76 KDM4E (0.39) ADRA2AADRA2BADRA2CCSNK1A1TYRO3
SCHEMBL8762157 0.75 PTPRA (0.55) ADRA2AADRA2BADRA2CSMN1; SMN2CSNK1A1
SCHEMBL27507351 0.75 FAAH (0.45) TAAR1
SCHEMBL4060533 0.74 TBXAS1 (0.39) ADRA2AADRA2BADRA2CCSNK1A1TYRO3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0513285-B1 IMIDAZOL-2-YL DERIVATIVES OF SUBSTITUTED BICYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA SPA (IT) 1996-01-24 EP disclosed
US-5356920-A Anticholesterol, antilipemic agent FARMITALIA CARLO ERBA SRL. (IT) 1994-10-18 US disclosed
EP-0513285-A1 IMIDAZOL-2-YL DERIVATIVES OF SUBSTITUTED BICYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION. ERBA CARLO SPA (IT) 1992-11-19 EP disclosed
WO-1992009582-A1 IMIDAZOL-2-YL DERIVATIVES OF SUBSTITUTED BICYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA SRL (IT) 1992-06-11 WO disclosed
US-4985440-A Hypolipidaemic imidazol-2-yl-derivatives of bicyclic compounds FARMITALIA CARLO ERBA, S.R.L. (IT) 1991-01-15 US disclosed
EP-0375746-A1 HYPOLIPIDAEMIC IMIDAZOL-2-YL-DERIVATIVES OF BICYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1990-07-04 EP disclosed
WO-1989008646-A1 HYPOLIPIDAEMIC IMIDAZOL-2-YL-DERIVATIVES OF BICYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1989-09-21 WO disclosed