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Sugi Predict / Compounds / SCHEMBL5612896

SCHEMBL5612896

SCHEMBL5612896

COCCCC[C@H](c1cccc2cc(F)oc12)[C@H]1CCCNC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 3/20 0.33
▸ SLC6A2 P23975 4/20 0.32
▸ SLC6A4 P31645 4/20 0.32
▸ SLC6A3 Q01959 3/20 0.32
▸ EED O75530 2/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ HTR2A P28223 1/20 0.30

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
SCHEMBL3887491 0.88 REN (0.33) RENSLC6A2SLC6A4SLC6A3EED
SCHEMBL3880920 0.88 REN (0.33) RENSLC6A2SLC6A4SLC6A3EED
SCHEMBL3947066 0.88 REN (0.34) RENSLC6A2SLC6A4SLC6A3EED
SCHEMBL5604760 0.86 REN (0.35) RENSLC6A2SLC6A4SLC6A3
SCHEMBL5593564 0.81 SLC6A2 (0.34) RENSLC6A2SLC6A4SLC6A3EED
SCHEMBL5613173 0.80 SLC6A2 (0.36) RENSLC6A2SLC6A4SLC6A3EED
SCHEMBL5593591 0.80 REN (0.37) RENSLC6A2SLC6A4SLC6A3EED
SCHEMBL4754589 0.79 REN (0.41) RENSLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL4755799 0.79 REN (0.41) RENSLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL5593634 0.77 SLC6A2 (0.41) RENSLC6A2SLC6A4SLC6A3CYP3A4

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-2007117560-A2 PIPERIDINE AND MORPHOLINE RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 — — WO disclosed