SCHEMBL14291345

SCHEMBL14291345

Cc1cc(Cl)ccc1CC(N)C(=O)N1C[C@@H](CC(C)C)N(C(=O)[C@H](N)Cc2ccc(Cl)cc2C)C[C@@H]1CCCCNCCN

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MC4R P32245 8/20 0.41
DPP4 P27487 2/20 0.40
HDAC8 Q9BY41 7/20 0.35
HDAC1 Q13547 3/20 0.35
P2RX7 Q99572 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
FAP Q12884 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL2899172 1.00 MC4R (0.41) MC4RDPP4HDAC8HDAC1P2RX7
SCHEMBL2899175 1.00 MC4R (0.41) MC4RDPP4HDAC8HDAC1P2RX7
SCHEMBL1748779 0.92 DPP4 (0.48) MC4RDPP4HDAC8HDAC1HDAC3
SCHEMBL4778870 0.92 DPP4 (0.48) MC4RDPP4HDAC8HDAC1HDAC3
SCHEMBL5129579 0.92 DPP4 (0.48) MC4RDPP4HDAC8HDAC1HDAC3
SCHEMBL1748778 0.92 DPP4 (0.48) MC4RDPP4HDAC8HDAC1HDAC3
SCHEMBL4778879 0.92 DPP4 (0.48) MC4RDPP4HDAC8HDAC1HDAC3
SCHEMBL5031635 0.91 MC4R (0.36) MC4RDPP4FAPDPP8DPP9
SCHEMBL1748571 0.91 MC4R (0.36) MC4RDPP4FAPDPP8DPP9
SCHEMBL1748573 0.91 MC4R (0.36) MC4RDPP4FAPDPP8DPP9

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