SCHEMBL8690052

SCHEMBL8690052

O=c1c(N2CCCC2)cc2cccnc2n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.48
PDE4B Q07343 1/20 0.46
PDE4D Q08499 1/20 0.46
DHFR P00374 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX5 P09917 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 5/20 0.42
TP53 P04637 2/20 0.41
PHGDH O43175 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR1D P28221 1/20 0.39
HTR2C P28335 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39

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
SCHEMBL8691069 0.84 ALDH1A1 (0.45) PDE4BPDE4DMEN1KMT2ACYP1A2
SCHEMBL10375042 0.81 TRPV1 (0.54) TRPV1PDE4BPDE4DCYP1A2MAPT
SCHEMBL8689687 0.80 PDE4B (0.46) PDE4BPDE4DDHFRALOX5CYP1A2
SCHEMBL9687088 0.80 PDE4B (0.45) PDE4BPDE4DDHFRALOX5CYP1A2
SCHEMBL617699 0.79 TRPV1 (0.55) TRPV1PDE4BPDE4DMEN1KMT2A
SCHEMBL10376010 0.79 TRPV1 (0.57) TRPV1PDE4BPDE4DMEN1KMT2A
SCHEMBL10375018 0.77 TRPV1 (0.54) TRPV1PDE4BPDE4DMEN1KMT2A
SCHEMBL9471194 0.76 TRPV1 (0.52) TRPV1PDE4BPDE4DMEN1KMT2A
SCHEMBL7269291 0.76 TRPV1 (0.57) TRPV1PDE4BPDE4DMEN1KMT2A
SCHEMBL7278200 0.76 TRPV1 (0.50) TRPV1PDE4BPDE4DMEN1KMT2A

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-5760034-A ANTIALLERGEN, ANTIINFLAMMATORY, ANTIULCER SCHERING CORPORATION (US) 1998-06-02 US disclosed