Sugi Predict

Sugi Predict / Compounds / SCHEMBL4778870

SCHEMBL4778870

SCHEMBL4778870

CC(C)C[C@H]1CN(C(=O)[C@H](N)Cc2ccc(Cl)cc2Cl)[C@H](CCCCNCCN)CN1C(=O)[C@H](N)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.48
▸ HDAC8 Q9BY41 14/20 0.43
▸ HDAC1 Q13547 3/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ MC4R P32245 5/20 0.42

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
SCHEMBL1748779 1.00 DPP4 (0.48) DPP4HDAC8HDAC1HDAC3HDAC2
SCHEMBL4778879 1.00 DPP4 (0.48) DPP4HDAC8HDAC1HDAC3HDAC2
SCHEMBL1748778 1.00 DPP4 (0.48) DPP4HDAC8HDAC1HDAC3HDAC2
SCHEMBL5129579 1.00 DPP4 (0.48) DPP4HDAC8HDAC1HDAC3HDAC2
SCHEMBL1748434 0.97 DPP4 (0.49) DPP4HDAC8HDAC1HDAC3HDAC2
SCHEMBL1748433 0.97 DPP4 (0.49) DPP4HDAC8HDAC1HDAC3HDAC2
SCHEMBL2898426 0.92 DPP4 (0.40) DPP4HDAC8HDAC1HDAC3HDAC2
SCHEMBL2898430 0.92 DPP4 (0.40) DPP4HDAC8HDAC1HDAC3HDAC2
SCHEMBL2899175 0.92 MC4R (0.41) DPP4HDAC8HDAC1HDAC3HDAC2
SCHEMBL14147557 0.92 DPP4 (0.40) DPP4HDAC8HDAC1HDAC3HDAC2

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-2008017852-A1 DIAMINE-CONTAINING, TETRA- SUBSTITUTED PIPERAZINE COMPOUNDS AS MELANOCORTIN RECEPTOR MODULATORS PALATIN TECHNOLOGIES, INC. (US) 2008-02-14 — — WO disclosed