SCHEMBL7323116

SCHEMBL7323116

CCCCc1nc(Cl)c(CCc2ccccc2)c(Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.48
PDE4B Q07343 10/20 0.48
PDE4C Q08493 10/20 0.48
PDE4D Q08499 10/20 0.48
PDE3B Q13370 4/20 0.44
PDE3A Q14432 4/20 0.44
TLR8 Q9NR97 2/20 0.43
TLR7 Q9NYK1 2/20 0.43
PIN1 Q13526 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL7323950 0.76 PARP1 (0.56)
Acetic Acid SCHEMBL9249727 0.76 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7835433 0.75 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL12496407 0.75 LMNA (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
Butylbenzyl SCHEMBL27699289 0.72 MAOA (0.56) SIGMAR1
SCHEMBL6131261 0.72 ALDH1A1 (0.57) SIGMAR1
Butylbenzyl SCHEMBL16051 0.72 SIGMAR1 (0.59) SIGMAR1
Butylbenzyl SCHEMBL22716183 0.72 SIGMAR1 (0.59) SIGMAR1
Butylbenzyl SCHEMBL3229215 0.72 SIGMAR1 (0.59) SIGMAR1
SCHEMBL7441513 0.71 GPR84 (0.47) PDE4APDE4BPDE4CPDE4DPDE3B

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
US-6071913-A 2-(1H-TETRAZOL-5-YL)-4'-(AS-TRIAZIN-YLMETHYL)BIPHENYLS; CARDIOVASCULAR DISEASES, ESPECIALLY HYPERTENSION AND CONGESTIVE HEART FAILURE DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2000-06-06 US disclosed