SCHEMBL1898925

SCHEMBL1898925

O=C(O)N1CCC(CC=C(Br)Br)C1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.35
DPP8 Q6V1X1 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 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
SCHEMBL1186662 0.89 LMNA (0.31) TACR3LMNAGAA
SCHEMBL26091805 0.80 TACR3 (0.37) TACR3DPP8DPP7LMNAGAA
SCHEMBL26091064 0.80 TACR3 (0.37) TACR3DPP8DPP7LMNAGAA
SCHEMBL26091072 0.80 TACR3 (0.37) TACR3DPP8DPP7LMNAGAA
SCHEMBL1903186 0.77 EPHX1 (0.44)
SCHEMBL28568677 0.77 TACR3 (0.36) TACR3DPP8DPP7LMNAGAA
SCHEMBL4328443 0.77 TACR3 (0.37) TACR3DPP8DPP7LMNA
SCHEMBL20702384 0.77 TACR3 (0.37) TACR3DPP8DPP7LMNA
SCHEMBL20702387 0.77 TACR3 (0.37) TACR3DPP8DPP7LMNA
SCHEMBL25335914 0.76 TACR3 (0.39) TACR3DPP8DPP7LMNA

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-2320907-A1 THERAPEUTIC COMPOUNDS Merck & Co., Inc. (US) 2011-05-18 EP disclosed
WO-2010017047-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2010-02-11 WO disclosed