SCHEMBL4050608

SCHEMBL4050608

O=C(O)c1nn(CCCCC(F)(F)F)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.52
CNR2 P34972 6/20 0.52
TSHR P16473 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
PMP22 Q01453 1/20 0.47
HIF1A Q16665 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PARP1 P09874 1/20 0.43
PTGER4 P35408 3/20 0.43
HTR3A P46098 2/20 0.43
F2 P00734 1/20 0.42
PLAU P00749 1/20 0.42
ELANE P08246 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL25969253 0.91 TSHR (0.50) CNR1CNR2TSHRCYP1A2CYP3A4
SCHEMBL4051371 0.85 CNR1 (0.51) CNR1CNR2PARP1HTR3AF2
SCHEMBL28985448 0.84 CNR1 (0.66) CNR1CNR2TSHRCYP1A2CYP3A4
SCHEMBL28985446 0.82 TSHR (0.50) CNR1CNR2TSHRCYP1A2CYP3A4
SCHEMBL30497875 0.82 CNR1 (0.61) CNR1CNR2TSHRCYP1A2CYP3A4
SCHEMBL6948768 0.82 CNR1 (0.61) CNR1CNR2TSHRCYP1A2CYP3A4
SCHEMBL15897852 0.82 TSHR (0.52) CNR1CNR2TSHRCYP1A2CYP3A4
SCHEMBL29805363 0.82 HTR3A (0.55) CNR1CNR2TSHRCYP1A2CYP3A4
SCHEMBL2818345 0.81 CNR1 (0.60) CNR1CNR2TSHRCYP1A2CYP3A4
SCHEMBL13690858 0.79 TSHR (0.47) CNR1CNR2TSHRCYP1A2CYP3A4

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
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed