SCHEMBL8938018

SCHEMBL8938018

FC(F)(F)c1ccccc1C(Br)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.53
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
P2RX7 Q99572 1/20 0.44
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
CNR2 P34972 2/20 0.41
CACNA2D1 P54289 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNB1 Q02641 1/20 0.40
CACNA1C Q13936 1/20 0.40
HSD11B1 P28845 1/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A2 P23975 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL2390807 0.79 ACP3 (0.56) ACP3IDO1TDO2P2RX7OPRM1
SCHEMBL30705308 0.79 P2RX7 (0.50) ACP3IDO1TDO2P2RX7OPRM1
SCHEMBL9242031 0.79 P2RX7 (0.50) ACP3IDO1TDO2P2RX7OPRM1
SCHEMBL4007134 0.78 ACP3 (0.54) ACP3IDO1TDO2P2RX7OPRM1
SCHEMBL29052941 0.78 ACP3 (0.54) ACP3IDO1TDO2P2RX7OPRM1
SCHEMBL3881807 0.77 P2RX7 (0.48) ACP3IDO1TDO2P2RX7OPRM1
SCHEMBL30986703 0.76 ACP3 (0.57) ACP3IDO1TDO2OPRM1OPRD1
SCHEMBL3294921 0.76 ACP3 (0.57) ACP3IDO1TDO2OPRM1OPRD1
SCHEMBL22867707 0.76 ACP3 (0.53) ACP3IDO1TDO2P2RX7OPRM1
SCHEMBL3289370 0.76 ACP3 (0.57) ACP3IDO1TDO2OPRM1OPRD1

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-5508273-A ARALKYLPHOSPHONATES FOR OSTEOPOROSIS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-04-16 US disclosed