SCHEMBL20112955

SCHEMBL20112955

O=C(NCc1ccccc1F)C1c2ccccc2CC(=O)N1CC1CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 1/20 1.00
TDP1 Q9NUW8 2/20 0.44
PKM P14618 1/20 0.42
P2RX7 Q99572 1/20 0.41
SLC1A2 P43004 1/20 0.41
PPIA P62937 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
METAP2 P50579 1/20 0.39

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
SCHEMBL20113083 0.90 GRM7 (0.82) GRM7P2RX7
SCHEMBL20113021 0.88 GRM7 (0.78) GRM7P2RX7LMNAPOLBALDH1A1
SCHEMBL20113104 0.85 GRM7 (0.74) GRM7ALDH1A1
SCHEMBL20113106 0.85 GRM7 (0.74) GRM7ALDH1A1
SCHEMBL20113026 0.85 GRM7 (0.74) GRM7P2RX7
SCHEMBL20113080 0.85 GRM7 (0.74) GRM7P2RX7KDM4EMAPTALDH1A1
SCHEMBL20113180 0.82 GRM7 (0.69) GRM7P2RX7
SCHEMBL20113020 0.81 GRM7 (0.68) GRM7TDP1PKMALDH1A1
SCHEMBL20113019 0.81 GRM7 (0.68) GRM7LMNAALDH1A1
SCHEMBL20113179 0.81 GRM7 (0.68) GRM7P2RX7LMNA

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-2018079862-A1 MGLUR7 MODULATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 WO disclosed