SCHEMBL8870747

SCHEMBL8870747

CN(C(=O)C1CCC(c2ccccc2)N1C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.41
USP30 Q70CQ3 2/20 0.40
UCHL1 P09936 1/20 0.39
RIPK1 Q13546 3/20 0.39
GPR119 Q8TDV5 1/20 0.39
FFAR2 O15552 1/20 0.38

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
SCHEMBL8870762 1.00 ABCB1 (0.41) ABCB1USP30UCHL1RIPK1GPR119
SCHEMBL10209962 0.89 ABCB1 (0.44) ABCB1USP30RIPK1GPR119FFAR2
SCHEMBL2890883 0.86 ABCB1 (0.41) ABCB1USP30UCHL1RIPK1GPR119
SCHEMBL2890888 0.86 ABCB1 (0.41) ABCB1USP30UCHL1RIPK1GPR119
SCHEMBL2890882 0.86 ABCB1 (0.41) ABCB1USP30UCHL1RIPK1GPR119
SCHEMBL475745 0.84 FFAR2 (0.51) ABCB1RIPK1GPR119FFAR2
SCHEMBL5156869 0.84 FFAR2 (0.51) ABCB1RIPK1GPR119FFAR2
SCHEMBL2896922 0.84 FFAR2 (0.51) ABCB1RIPK1GPR119FFAR2
SCHEMBL859599 0.84 FFAR2 (0.51) ABCB1RIPK1GPR119FFAR2
SCHEMBL6183606 0.84 FFAR2 (0.51) ABCB1RIPK1GPR119FFAR2

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
US-5610144-A CHOLECYSTOKININ OR GASTRIN ANTAGONISTS; NERVOUS SYSTEM AND GASTROINTESTINAL DISORDERS RHONE-POULENC RORER S.A. (FR) 1997-03-11 US disclosed