SCHEMBL21753818

SCHEMBL21753818

O=C(O)CCc1cc2n(n1)CCN(C(=O)Cc1ccc(-c3cccc(F)c3)cc1)C2

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 18/20 0.47
▸ MME P08473 1/20 0.41
▸ MMEL1 Q495T6 1/20 0.41

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
SCHEMBL21753808 0.91 GRM5 (0.47) GRM5
SCHEMBL21753823 0.91 MAPT (0.46) GRM5
SCHEMBL21753824 0.89 GRM5 (0.50) GRM5
SCHEMBL21753815 0.88 GRM5 (0.49) GRM5
SCHEMBL21753817 0.86 SLC13A5 (0.43) GRM5MME
SCHEMBL21753827 0.85 SMN1; SMN2 (0.42) GRM5
SCHEMBL21756473 0.85 ALDH1A1 (0.46) GRM5
SCHEMBL21753813 0.85 ALOX5 (0.44) —
SCHEMBL21753806 0.84 GRM5 (0.44) GRM5
SCHEMBL21753809 0.82 SMN1; SMN2 (0.45) GRM5

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-2020040326-A1 PHENYLACETIC ACID DERIVATIVE, AND COMPOSITION FOR PREVENTING OR TREATING AUTOIMMUNE DISEASES, CONTAINING SAME AS ACTIVE INGREDIENT 가천대학교 산학협력단 2020-02-27 — — WO disclosed
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