SCHEMBL22384495

SCHEMBL22384495

C[C@@H](NCC(=O)[C@H](Cc1ccc(-c2ncc(-c3ccc(-c4cccc(C(F)(F)F)c4)cc3)cn2)cc1)NC(=O)c1ccc(C(C)(C)C)s1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KIFC1 Q9BW19 12/20 0.50
▸ GPR34 Q9UPC5 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ ITGB1 P05556 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ ITGB7 P26010 1/20 0.40
▸ CDK2 P24941 4/20 0.40
▸ MME P08473 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
SCHEMBL17995223 0.91 KIFC1 (0.52) KIFC1GPR34MCL1ITGB1ITGA4
SCHEMBL17834856 0.90 KIFC1 (0.60) KIFC1GPR34MCL1ITGB1ITGA4
SCHEMBL16306244 0.83 KIFC1 (0.42) KIFC1MCL1MME
SCHEMBL17834785 0.83 KIFC1 (0.42) KIFC1MCL1MME
SCHEMBL15036992 0.83 KIFC1 (0.49) KIFC1MCL1ITGB1ITGA4ITGB7
SCHEMBL17834526 0.83 KIFC1 (0.49) KIFC1MCL1ITGB1ITGA4ITGB7
SCHEMBL17968913 0.83 KIFC1 (0.49) KIFC1MCL1ITGB1ITGA4ITGB7
SCHEMBL17834845 0.82 KIFC1 (0.41) KIFC1GPR34MME
SCHEMBL17834777 0.81 KIFC1 (0.45) KIFC1MCL1ITGB1ITGA4ITGB7
SCHEMBL19485619 0.81 KIFC1 (0.41) KIFC1MCL1

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
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 — — EP disclosed
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