SCHEMBL8540508

SCHEMBL8540508

CC(C)=CCOc1ccccc1-c1ncc[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.51
CSNK1A1 P48729 1/20 0.43
TYRO3 Q06418 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
NISCH Q9Y2I1 2/20 0.39
MTOR P42345 1/20 0.39
ADK P55263 1/20 0.39
PDE5A O76074 5/20 0.36
CASP6 P55212 1/20 0.36
CASP1 P29466 1/20 0.36
MC4R P32245 2/20 0.35
SMPD3 Q9NY59 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 1/20 0.35

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
SCHEMBL8536082 0.89 ADRA1A (0.49) ADRA1ACSNK1A1TYRO3DYRK1BPRMT5
SCHEMBL8542558 0.82 ADRA1A (0.52) ADRA1ACSNK1A1TYRO3DYRK1BPRMT5
SCHEMBL8541279 0.81 ADRA1A (0.54) ADRA1ACSNK1A1TYRO3DYRK1BPRMT5
SCHEMBL3403159 0.79 ADRA1A (0.58) ADRA1ACSNK1A1TYRO3DYRK1BNISCH
SCHEMBL8542537 0.77 POLB (0.55) ADRA1ACSNK1A1TYRO3DYRK1BPRMT5
SCHEMBL8542513 0.76 ADRA1A (0.52) ADRA1ACSNK1A1TYRO3DYRK1BPRMT5
SCHEMBL8542526 0.76 ADRA1A (0.52) ADRA1ACSNK1A1TYRO3DYRK1BPRMT5
SCHEMBL3403152 0.76 ADRA1A (0.54) ADRA1ACSNK1A1TYRO3DYRK1BNISCH
SCHEMBL29360270 0.76 ADRA1A (0.54) ADRA1ACSNK1A1TYRO3DYRK1BNISCH
SCHEMBL8541523 0.75 ADRA1A (0.54) ADRA1ACSNK1A1TYRO3DYRK1BNISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0857171-A2 IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1998-08-12 EP disclosed
WO-1997015555-A2 IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1997-05-01 WO disclosed