SCHEMBL13886071

SCHEMBL13886071

CC(C)n1nc(C#CC(C)(C)C)c(=O)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SSTR4 P31391 1/20 0.38
▸ HTR4 Q13639 13/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MPO P05164 1/20 0.33

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
SCHEMBL3979382 0.81 L3MBTL1 (0.36) ALDH1A1SMN1; SMN2POLB
SCHEMBL3976415 0.77 ALDH1A1 (0.36) SSTR4ALDH1A1CYP2C19KMT2APOLB
SCHEMBL3976822 0.76 ALDH1A1 (0.38) ALDH1A1POLB
SCHEMBL3978510 0.74 CNR2 (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL3976338 0.74 CNR2 (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL3977688 0.74 SSTR4 (0.44) SSTR4ALDH1A1KMT2APDE4APDE4B
SCHEMBL22186619 0.73 HTR4 (0.41) SSTR4HTR4ALDH1A1CYP1A2CYP2C19
SCHEMBL13886067 0.72 ALDH1A1 (0.41) SSTR4HTR4ALDH1A1CYP1A2CYP2C19
SCHEMBL13886066 0.69 PTGDR2 (0.42) CYP1A2CYP2C19KMT2A
SCHEMBL15858711 0.68 SSTR4 (0.50) SSTR4HTR4ALDH1A1CYP1A2CYP2C19

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-2009053799-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS, S.A. (US) 2009-04-30 — — WO disclosed
Send feedback