SCHEMBL25919486

SCHEMBL25919486

CC(=O)C1CN(C(c2ccc(F)cc2)c2ccc(F)cc2)CCN1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.42
HRH3 Q9Y5N1 1/20 0.42
OPRM1 P35372 1/20 0.40
CACNA2D1 P54289 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNB1 Q02641 1/20 0.40
CACNA1C Q13936 1/20 0.40
MGLL Q99685 2/20 0.38
SLC6A9 P48067 1/20 0.38
FAAH O00519 1/20 0.38
DPP8 Q6V1X1 2/20 0.38
DPP7 Q9UHL4 2/20 0.38
DPP4 P27487 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL21910240 0.88 CACNA2D1 (0.43) OPRD1HRH3OPRM1CACNA2D1CACNA1B
SCHEMBL21910634 0.86 FPR2 (0.42) OPRD1HRH3OPRM1CACNA2D1CACNA1B
SCHEMBL21831404 0.86 OPRD1 (0.43) OPRD1HRH3OPRM1MGLL
SCHEMBL21910161 0.81 DPP8 (0.41) HRH3MGLLFAAHDPP8DPP7
SCHEMBL7437112 0.80 HRH3 (0.58) OPRD1HRH3OPRM1CACNA2D1CACNA1B
SCHEMBL7332382 0.79 HRH3 (0.33) HRH3DPP8DPP7DPP4
SCHEMBL14033487 0.76 HRH3 (0.44) OPRD1HRH3OPRM1MGLLFAAH
Acetic Acid SCHEMBL27992925 0.76 OPRD1 (0.65) OPRD1OPRM1CACNA2D1CACNA1BCACNB1
SCHEMBL21831282 0.75 HRH3 (0.43) OPRD1HRH3OPRM1CACNA2D1CACNA1B
SCHEMBL27048103 0.75 HRH3 (0.43) OPRD1HRH3OPRM1CACNA2D1CACNA1B

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
EP-3814348-B1 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 EP disclosed