SCHEMBL20182936

SCHEMBL20182936

COC1C(C)=C(C)OCC1NC(=O)[C@@H]1c2ccccc2CC(=O)N1CC1CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 1/20 0.50
TSHR P16473 4/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 3/20 0.32
GAA P10253 2/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 1/20 0.31
DRD2 P14416 1/20 0.30
F2 P00734 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL20182987 0.89 GRM7 (0.51) GRM7TSHRALDH1A1LMNAGAA
SCHEMBL21542219 0.89 GRM7 (0.51) GRM7TSHRALDH1A1LMNAGAA
SCHEMBL21542221 0.89 GRM7 (0.51) GRM7TSHRALDH1A1LMNAGAA
SCHEMBL20165963 0.84 GRM7 (0.46) GRM7TSHRALDH1A1LMNAGAA
SCHEMBL20165965 0.84 GRM7 (0.46) GRM7TSHRALDH1A1LMNAGAA
SCHEMBL20165964 0.84 GRM7 (0.46) GRM7TSHRALDH1A1LMNAGAA
SCHEMBL19960687 0.83 GRM7 (0.55) GRM7TSHRALDH1A1LMNAGAA
SCHEMBL21542235 0.80 GRM7 (0.55) GRM7TSHRLMNAGAANPSR1
SCHEMBL21542236 0.80 GRM7 (0.55) GRM7TSHRLMNAGAANPSR1
SCHEMBL20182937 0.80 GRM7 (0.55) GRM7TSHRLMNAGAANPSR1

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-2018092921-A1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7- REGULATED DISEASES, DISORDERS, OR CONDITIONS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-24 WO disclosed