SCHEMBL8077337

SCHEMBL8077337

c1ccc(P(c2ccccc2)C2CCOc3ccsc32)cc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31

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
SCHEMBL25515633 0.65 MAP3K14 (0.33)
SCHEMBL29960765 0.65 TAAR1 (0.41)
Hydrochloric Acid SCHEMBL29960613 0.64 TAAR1 (0.41)
Hydrochloric Acid SCHEMBL29959968 0.61 TAAR1 (0.44)
SCHEMBL29960123 0.59
SCHEMBL20541428 0.58 CYP3A4 (0.35)
SCHEMBL18099422 0.57 CYP3A4 (0.43)
SCHEMBL17504549 0.57 CYP3A4 (0.43)
SCHEMBL301284 0.57 CYP3A4 (0.43)
SCHEMBL8905253 0.57 CYP3A4 (0.43)

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
WO-2009020578-A1 ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2009-02-12 WO disclosed