SCHEMBL7269291

SCHEMBL7269291

O=c1c(CCO)cc2cccnc2n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.57
TP53 P04637 2/20 0.46
POLB P06746 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4D Q08499 1/20 0.46
CYP1A2 P05177 1/20 0.42
TLR8 Q9NR97 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.40
CCKBR P32239 1/20 0.40
PLA2G10 O15496 1/20 0.40
BRD9 Q9H8M2 1/20 0.39
LMNA P02545 1/20 0.39
GSR P00390 2/20 0.38
NOTUM Q6P988 1/20 0.37
XDH P47989 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL7278200 0.89 TRPV1 (0.50) TRPV1TP53POLBPDE4BPDE4D
SCHEMBL10376010 0.88 TRPV1 (0.57) TRPV1TP53POLBPDE4BPDE4D
SCHEMBL9876578 0.84 FEN1 (0.45) PDE4BPDE4DCYP1A2MEN1KMT2A
SCHEMBL617699 0.81 TRPV1 (0.55) TRPV1TP53POLBPDE4BPDE4D
SCHEMBL10375042 0.81 TRPV1 (0.54) TRPV1TP53POLBPDE4BPDE4D
SCHEMBL9471194 0.78 TRPV1 (0.52) TRPV1TP53POLBPDE4BPDE4D
SCHEMBL10793841 0.77 FEN1 (0.43) PDE4BPDE4DCYP1A2KDM4EMEN1
SCHEMBL10375018 0.77 TRPV1 (0.54) TRPV1TP53POLBPDE4BPDE4D
Hydrochloric Acid SCHEMBL9470737 0.76 TRPV1 (0.47) TRPV1PDE4BPDE4DMAPT
SCHEMBL8690052 0.76 TRPV1 (0.48) TRPV1TP53POLBPDE4BPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0428437-B1 1,2-Benzisoxazole derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1994-08-17 EP disclosed
US-5214055-A Analgesics, psychological disorders, anxiolytic agents ADIR ET COMPAGNIE (FR) 1993-05-25 US disclosed
US-5189045-A Antiserotonine agent ADIR ET COMPAGNIE (FR) 1993-02-23 US disclosed
US-5134147-A Antipsychotic agents ADIR ET COMPAGNIE (FR) 1992-07-28 US disclosed
US-5100902-A Dopamine and Serotonin Antagonists, Antipsychotic Agents ADIR ET COMPAGNIE (FR) 1992-03-31 US disclosed
EP-0457686-A1 Novel aminopiperidine, aminopyrrolidine and aminoperhydroazepine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1991-11-21 EP disclosed
EP-0428437-A1 1,2-Benzisoxazole derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1991-05-22 EP disclosed