SCHEMBL9873453

SCHEMBL9873453

O=C1CC(c2ccc(F)cc2F)=Nc2cccc(C(F)(F)F)c21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.35
PDE3B Q13370 6/20 0.34
PDE3A Q14432 6/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 2/20 0.34
STK10 O94804 1/20 0.33
SLK Q9H2G2 1/20 0.33
HSD11B1 P28845 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR2C P28335 3/20 0.32
HTR2B P41595 3/20 0.32
HTR2A P28223 2/20 0.32
NR1I2 O75469 1/20 0.32

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
SCHEMBL9874871 0.86 PDE3B (0.37) PDE3BPDE3ASTK10SLKHSD11B1
SCHEMBL9874835 0.82 TP53 (0.43) PDE3BPDE3ATP53MAPTTHRB
SCHEMBL9872637 0.82 MAPT (0.40) P2RX7PDE3BPDE3ARXFP1TP53
SCHEMBL9872713 0.76 CYP3A4 (0.41)
SCHEMBL9872038 0.73 NOTUM (0.36) P2RX7PDE3BPDE3ARXFP1NR1H2
SCHEMBL9872061 0.73 RAB9A (0.45) RXFP1MAPTSMN1; SMN2
SCHEMBL9875005 0.71 MAPT (0.42) TP53MAPTTHRBSMN1; SMN2
SCHEMBL9872580 0.70 MAPT (0.43) HSD11B1MAPT
SCHEMBL31490625 0.67 PTPN1 (0.39) RXFP1TP53MAPTTHRBSMN1; SMN2
SCHEMBL339071 0.64 POLB (0.38) MAPT

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-5017576-A Antianxiolytic, hypnotic, anticonvulsant, antiepileptic RHONE-POULENC SANTE (FR) 1991-05-21 US disclosed