SCHEMBL21753808

SCHEMBL21753808

O=C(O)CCc1cc2n(n1)CCN(C(=O)Cc1ccc(-c3ccc(F)cc3)cc1)C2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 13/20 0.47
▸ POLB P06746 1/20 0.43
▸ KCNK3 O14649 1/20 0.42
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 1/20 0.40
▸ ME2 P23368 1/20 0.40
▸ ME1 P48163 1/20 0.40
▸ ME3 Q16798 1/20 0.40
▸ ALOX5 P09917 1/20 0.40

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
SCHEMBL21753815 0.97 GRM5 (0.49) GRM5POLBME2ME1ME3
SCHEMBL21753823 0.92 MAPT (0.46) GRM5
SCHEMBL21753818 0.91 GRM5 (0.47) GRM5
SCHEMBL21753827 0.90 SMN1; SMN2 (0.42) GRM5RXRARXRBRXRGALOX5
SCHEMBL21753813 0.89 ALOX5 (0.44) RXRARXRBRXRGME2ME1
SCHEMBL21753814 0.87 SMN1; SMN2 (0.51) RXRARXRBRXRG
SCHEMBL21756473 0.87 ALDH1A1 (0.46) GRM5
SCHEMBL21752922 0.86 ATM (0.46) GRM5RXRARXRBRXRGME2
SCHEMBL21753809 0.86 SMN1; SMN2 (0.45) GRM5POLBRXRARXRBRXRG
SCHEMBL21753812 0.86 ALDH1A1 (0.46) 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 2 patents. 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
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
Send feedback