SCHEMBL5508231

SCHEMBL5508231

CNCC(CC1(I)CCCCC1)NC(=O)c1cccc(C(=CCCCOC)c2ccccc2)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 3/20 0.35
▸ MTNR1A P48039 4/20 0.33
▸ MTNR1B P49286 4/20 0.33
▸ REN P00797 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL5511198 0.83 TAS1R3 (0.35) RENTAS1R3TAS1R1HPGDGAA
SCHEMBL13283526 0.83 REN (0.49) REN
SCHEMBL1862777 0.83 REN (0.49) REN
SCHEMBL1862774 0.83 REN (0.49) REN
SCHEMBL1862778 0.83 REN (0.49) REN
SCHEMBL12669834 0.77 REN (0.46) REN
SCHEMBL8271072 0.70 MEN1 (0.36) TBXAS1MTNR1AMTNR1BRENALDH1A1
SCHEMBL1861642 0.65 REN (0.51) REN
SCHEMBL1861640 0.65 REN (0.51) REN
SCHEMBL1863069 0.65 REN (0.56) REN

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-1807078-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-07-18 — — EP disclosed
WO-2006042150-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-04-20 — — WO disclosed
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