Sugi Predict

Sugi Predict / Compounds / SCHEMBL3881258

SCHEMBL3881258

SCHEMBL3881258

COCCCC[C@H](c1ccccc1Oc1ccccc1C)[C@H]1CCCNC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 7/20 0.39
▸ SLC6A4 P31645 7/20 0.39
▸ SLC6A3 Q01959 7/20 0.39
▸ REN P00797 6/20 0.37
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36

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
SCHEMBL3879197 0.89 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3REN
SCHEMBL5320483 0.88 HTR2A (0.36) SLC6A2SLC6A4SLC6A3REN
SCHEMBL5593301 0.84 SLC6A2 (0.35) SLC6A2SLC6A4REN
SCHEMBL14403734 0.84 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3RENHTR2C
SCHEMBL5613173 0.83 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3REN
SCHEMBL5592047 0.83 REN (0.34) SLC6A2SLC6A4SLC6A3REN
SCHEMBL5613061 0.81 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL5593463 0.81 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL4301459 0.79 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL4301452 0.79 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3HTR2CHTR2B

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-2010488-A2 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2009-01-07 — — EP disclosed
WO-2007117559-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 — — WO disclosed