SCHEMBL3810985

SCHEMBL3810985

O=C(O)N1CCC(O)CC1c1ccc(F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.40
SLC6A9 P48067 8/20 0.38
FFAR2 O15552 1/20 0.38
RIPK1 Q13546 2/20 0.36
USP5 P45974 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
USP30 Q70CQ3 1/20 0.35
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 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
SCHEMBL12979087 1.00 KDM1A (0.40) KDM1ASLC6A9FFAR2RIPK1USP5
SCHEMBL582066 0.85 SLC6A9 (0.40) SLC6A9FFAR2
SCHEMBL2705801 0.84 CCNC (0.39) SLC6A9RIPK1
SCHEMBL6126585 0.83 USP30 (0.40) KDM1ASLC6A9FFAR2RIPK1USP5
SCHEMBL2706713 0.83 USP30 (0.40) KDM1ASLC6A9FFAR2RIPK1USP5
SCHEMBL2708043 0.83 USP30 (0.40) KDM1ASLC6A9FFAR2RIPK1USP5
SCHEMBL6126899 0.82 USP30 (0.39) KDM1ASLC6A9FFAR2RIPK1USP5
SCHEMBL6121459 0.82 USP30 (0.39) KDM1ASLC6A9FFAR2RIPK1USP5
SCHEMBL6121112 0.80 HCRTR2 (0.39) SLC6A9FFAR2RIPK1USP5HDAC6
SCHEMBL16401399 0.79 RIPK1 (0.50) RIPK1

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-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO disclosed