Sugi Predict

Sugi Predict / Compounds / SCHEMBL3843280

SCHEMBL3843280

SCHEMBL3843280

CCCc1cccc(CCc2ccccc2OC)c1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 18/20 0.61
▸ HTR1A P08908 3/20 0.56
▸ DRD2 P14416 3/20 0.56
▸ ABCG2 Q9UNQ0 2/20 0.52
▸ TAAR1 Q96RJ0 1/20 0.51

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
SCHEMBL10235798 0.90 ABCB1 (0.58) ABCB1HTR1ADRD2ABCG2TAAR1
SCHEMBL612714 0.83 TAAR1 (0.60) ABCB1HTR1ADRD2TAAR1
SCHEMBL21324141 0.83 ABCB1 (0.57) ABCB1HTR1ADRD2ABCG2TAAR1
SCHEMBL10235880 0.82 ABCB1 (0.67) ABCB1HTR1ADRD2ABCG2
SCHEMBL7335269 0.82 ABCB1 (0.80) ABCB1HTR1ADRD2ABCG2TAAR1
SCHEMBL27854439 0.82 ABCB1 (0.63) ABCB1HTR1ADRD2ABCG2
SCHEMBL158584 0.82 TAAR1 (0.67) ABCB1TAAR1
SCHEMBL29467401 0.82 TAAR1 (0.67) ABCB1TAAR1
SCHEMBL15201535 0.80 TAAR1 (0.64) ABCB1TAAR1
SCHEMBL15201757 0.80 TAAR1 (0.64) ABCB1TAAR1

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-2111223-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-10-28 — — EP disclosed
WO-2009058216-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-05-07 — — WO disclosed