SCHEMBL6474711

SCHEMBL6474711

O=C(OC1CCCC1)N(c1ccncc1)c1ccc2[c]cn(Cc3ccc(F)cc3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.38
▸ KCNH2 Q12809 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ CHRM5 P08912 3/20 0.36
▸ CHRM1 P11229 3/20 0.36
▸ CHRM3 P20309 3/20 0.36
▸ PTGIR P43119 5/20 0.35
▸ F10 P00742 1/20 0.35
▸ PTGDR Q13258 2/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 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
SCHEMBL6482645 0.85 OPRD1 (0.35) KCNH2HRH3PTGIROPRD1
SCHEMBL14972859 0.78 CNR1 (0.34) CYP19A1KCNH2HRH3F10
SCHEMBL6475851 0.68 MAPK14 (0.39) OPRD1
SCHEMBL5531063 0.63 MEN1 (0.36) PDE4A
SCHEMBL5533097 0.61 PDE4A (0.38) PDE4A
SCHEMBL3846422 0.61 TUBB4A (0.53) F10PDE4A
SCHEMBL3849945 0.60 ALDH1A1 (0.46) CYP19A1
SCHEMBL5095886 0.59 NR4A2 (0.51) KCNH2HRH3
SCHEMBL1335750 0.59 MAPK14 (0.54) CHRM1CHRM3
SCHEMBL17956236 0.59 CNR1 (0.40) KCNH2

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
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