SCHEMBL26106903

SCHEMBL26106903

O=CC=CN1CCN(c2nccnc2-c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.42
▸ NPSR1 Q6W5P4 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ GAA P10253 2/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ SLC6A7 Q99884 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PDCD1 Q15116 1/20 0.40
▸ CD274 Q9NZQ7 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TRPA1 O75762 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
SCHEMBL26106571 0.86 TRPV1 (0.41) PDE10AHSD11B1SLC6A7TRPA1TRPV1
SCHEMBL26107543 0.82 TRPV1 (0.46) NPSR1LMNAKDM4EMAPTHTT
SCHEMBL26106568 0.78 SLC6A7 (0.51) NPSR1LMNAKDM4EMAPTHTT
SCHEMBL30591895 0.78 SLC6A7 (0.51) NPSR1LMNAKDM4EMAPTHTT
Hydrochloric Acid SCHEMBL3322312 0.76 MAPT (0.57) PDE10ANPSR1KDM4EMAPTALDH1A1
SCHEMBL26107483 0.74 TRPV1 (0.46) TRPV1
SCHEMBL26105650 0.74 PDE10A (0.42) PDE10ATRPA1TRPV1
SCHEMBL26105942 0.73 SMO (0.41) HSD11B1TRPV1
SCHEMBL26103628 0.72 CNR2 (0.45) KDM4EMAPTHTTHPGDGAA
SCHEMBL26107660 0.72 TRPV1 (0.49) TRPV1

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-2023183768-A2 SMALL MOLECULE INHIBITORS OF TEA DOMAIN FAMILY MEMBERS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-09-28 — — WO disclosed
Send feedback