SCHEMBL22296289

SCHEMBL22296289

C=C(C(C)C)N1CC2(C1)C(=C)Nc1ccccc12

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.35
▸ HTR1A P08908 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR7 P34969 1/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 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
SCHEMBL20437948 0.71 CYP2D6 (0.53) MAPK1HTR1AHTR2AHTR7HTR6
SCHEMBL23591435 0.70 BACE1 (0.44) MAPK1HTR1AHTR2AHTR7HTR6
SCHEMBL16812445 0.69 MAPK1 (0.46) MAPK1HTR1AHTR2AHTR7HTR6
SCHEMBL22296290 0.67 HDAC4 (0.37) —
SCHEMBL7004720 0.66 PDE7A (0.46) MAPK1HTR2ABACE1ALDH1A1
SCHEMBL16812427 0.63 BACE1 (0.45) MAPK1HTR1AHTR2AHTR7HTR6
SCHEMBL844744 0.61 PDK2 (0.57) LMNA
SCHEMBL30242138 0.61 PDK2 (0.57) LMNA
SCHEMBL31623092 0.61 OPRK1 (0.50) HTR1AHTR2AHTR7HTR6BACE1
SCHEMBL17187660 0.61 BACE1 (0.50) MAPK1HTR1AHTR2AHTR7HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3305790-B1 METHOD FOR PREPARING IMIDAZOLE DERIVATIVE AND INTERMEDIATE THEREOF AND CRYSTAL FORM SHANGDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2020-08-05 — — EP disclosed
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