SCHEMBL6482645

SCHEMBL6482645

CCOC(=O)N(c1ccncc1)c1ccc2[c]cn(Cc3ccc(F)cc3)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ MDM2 Q00987 1/20 0.34
▸ PTGIR P43119 3/20 0.33
▸ MAPK14 Q16539 2/20 0.33
▸ GCGR P47871 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ CYP11B1 P15538 1/20 0.32

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
SCHEMBL6475849 0.93 MMP13 (0.36) OPRD1L3MBTL1MAPTALDH1A1POLB
SCHEMBL6474711 0.85 CYP19A1 (0.38) OPRD1PTGIRKCNH2HRH3
SCHEMBL6475851 0.81 MAPK14 (0.39) OPRD1L3MBTL1MAPTALDH1A1POLB
SCHEMBL5531063 0.77 MEN1 (0.36) MAPTPOLBKDM4EPKMMDM2
SCHEMBL5533097 0.75 PDE4A (0.38) MAPTALDH1A1POLBHTTKDM4E
SCHEMBL27489900 0.66 PTGIR (0.55) L3MBTL1MAPTALDH1A1PTGIR
SCHEMBL14972859 0.65 CNR1 (0.34) ALDH1A1KDM4EKCNH2HRH3
SCHEMBL3849945 0.62 ALDH1A1 (0.46) MAPTALDH1A1POLBHTTKDM4E
SCHEMBL7057720 0.61 THRB (0.59) MAPTALDH1A1POLB
SCHEMBL27449198 0.61 PTGIR (0.58) PTGIR

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
US-6919344-B2 N-substituted indole-3-glyoxylamides having anti-asthmatic, antiallergic and immunosuppressant/immuno-modulating action ASTA MEDICA, AKTIENGESELLSCHAFT (DE) 2005-07-19 — — US disclosed
US-6344467-B1 ANTIASTHMATIC, ANTIALLERGIC AND IMMUNOSUPPRESSANT/IMMUNOMODULATING PROPERTIES ASTA MEDICA AG (DE) 2002-02-05 — — US disclosed
Send feedback