SCHEMBL11258589

SCHEMBL11258589

CCCCCC1=Nc2cnc3ccccc3c2N(C(=O)CCCC)N1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 4/20 0.40
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ BCHE P06276 2/20 0.38
▸ LMNA P02545 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ S1PR2 O95136 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ OXER1 Q8TDS5 1/20 0.35
▸ ELANE P08246 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ TRPV1 Q8NER1 2/20 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
SCHEMBL11254174 0.97 TLR7 (0.41) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL11265471 0.93 TLR7 (0.41) TLR7PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL11266120 0.92 TLR7 (0.40) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL11038010 0.89 TLR7 (0.42) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL11036499 0.88 TLR7 (0.43) TLR7PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL11036610 0.88 TLR7 (0.41) TLR7PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL11037809 0.88 TLR7 (0.43) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL11038211 0.86 PDE4A (0.41) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL11258031 0.86 TLR7 (0.39) TLR7PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL11036638 0.85 PDE4A (0.40) TLR7PDE4APDE4BPDE4CPDE4D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4342766-A SAID COMPOUNDS POSSESS ANTIPHLOGISTIC, ANALGESIC, ANTICONVULSIVE AND TRANQUILIZING PROPERTIES EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1982-08-03 — — US disclosed
EP-0038528-A1 Dihydro-as-triazino(5,6-c)quinoline derivatives, process for their preparation and pharmaceutical compositions containing these compounds EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1981-10-28 — — EP disclosed
US-4296256-A 2-Decarboxy-2-hydroxymethyl-19-keto-PG compounds THE UPJOHN COMPANY (US) 1981-10-20 — — US disclosed
Send feedback