SCHEMBL8075447

SCHEMBL8075447

OC1CCOc2ccsc21

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.31
TAAR1 Q96RJ0 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 0.77 MAP3K14 (0.33) MAP3K14
SCHEMBL29960765 0.73 TAAR1 (0.41) TAAR1
Hydrochloric Acid SCHEMBL29960613 0.72 TAAR1 (0.41) TAAR1
SCHEMBL9146077 0.69 MEN1 (0.38)
Hydrochloric Acid SCHEMBL29960779 0.68 TAAR1 (0.44) TAAR1
Hydrochloric Acid SCHEMBL29959968 0.68 TAAR1 (0.44) TAAR1
SCHEMBL8077337 0.68 ITGB2 (0.31)
SCHEMBL29960433 0.67 TAAR1 (0.41) TAAR1
SCHEMBL29960123 0.67
SCHEMBL15903291 0.65 P2RX7 (0.46)

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