Sugi Predict

Sugi Predict / Compounds / SCHEMBL3394198

SCHEMBL3394198

SCHEMBL3394198

CN(C)C[C@@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC2(C/C=C/C(=O)O)CCC2)C1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 14/20 0.38
▸ F10 P00742 1/20 0.37
▸ GHSR Q92847 1/20 0.36
▸ F2 P00734 2/20 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
SCHEMBL1401110 0.84 TACR1 (0.42) TACR1F10F2
SCHEMBL1401107 0.84 TACR1 (0.42) TACR1F10F2
SCHEMBL1401128 0.83 GHSR (0.42) TACR1GHSR
SCHEMBL1401126 0.83 GHSR (0.42) TACR1GHSR
SCHEMBL1401123 0.83 GHSR (0.42) TACR1GHSR
SCHEMBL866610 0.83 GHSR (0.42) TACR1F10GHSRF2
SCHEMBL866611 0.83 GHSR (0.42) TACR1F10GHSRF2
SCHEMBL8715798 0.82 GHSR (0.41) TACR1GHSR
SCHEMBL7896282 0.78 GHSR (0.50) TACR1GHSR
SCHEMBL1401071 0.77 GHSR (0.52) TACR1GHSR

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-2146732-A1 METHODS OF TREATING OR PREVENTING EMESIS USING GROWTH HORMONE SECRETAGOGUES Helsinn Therapeutics (U.S.), Inc. (US) 2010-01-27 — — EP disclosed
WO-2008124183-A1 METHODS OF TREATING OR PREVENTING EMESIS USING GROWTH HORMONE SECRETAGOGUES HELSINN THERAPEUTICS (U.S.), INC. (US) 2008-10-16 — — WO disclosed