SCHEMBL21753815

SCHEMBL21753815

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 14/20 0.49
▸ POLB P06746 1/20 0.45
▸ ME2 P23368 1/20 0.42
▸ ME1 P48163 1/20 0.42
▸ ME3 Q16798 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MCHR1 Q99705 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 0.97 GRM5 (0.47) GRM5POLBME2ME1ME3
SCHEMBL21756473 0.90 ALDH1A1 (0.46) GRM5KMT2A
SCHEMBL21753812 0.89 ALDH1A1 (0.46) GRM5MEN1KMT2AMAPT
SCHEMBL21752922 0.89 ATM (0.46) GRM5ME2ME1ME3MEN1
SCHEMBL21753809 0.89 SMN1; SMN2 (0.45) GRM5POLBMEN1KMT2A
SCHEMBL21753824 0.89 GRM5 (0.50) GRM5
SCHEMBL21753818 0.88 GRM5 (0.47) GRM5
SCHEMBL21753823 0.88 MAPT (0.46) GRM5MAPT
SCHEMBL21753827 0.86 SMN1; SMN2 (0.42) GRM5MEN1KMT2A
SCHEMBL21753822 0.86 SMN1; SMN2 (0.54) MEN1KMT2AMAPT

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 claimed
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