SCHEMBL24899622

SCHEMBL24899622

C=C(N(C)C)n1nnnc1Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.73
FAAH O00519 1/20 0.73
ALDH1A1 P00352 1/20 0.73
TRPV1 Q8NER1 8/20 0.58
CNR2 P34972 1/20 0.52
DAGLA Q9Y4D2 1/20 0.46

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
SCHEMBL2184828 0.84 MGLL (1.00) MGLLFAAHALDH1A1TRPV1DAGLA
SCHEMBL2183633 0.75 MGLL (0.85) MGLLFAAHALDH1A1TRPV1DAGLA
SCHEMBL2180439 0.71 MGLL (0.58) MGLLFAAHALDH1A1TRPV1CNR2
SCHEMBL9643255 0.69 MGLL (0.59) MGLLFAAHALDH1A1TRPV1DAGLA
SCHEMBL12414610 0.69 TRPV1 (0.92) MGLLFAAHALDH1A1TRPV1DAGLA
SCHEMBL2181664 0.68 TRPV1 (0.72) MGLLFAAHALDH1A1TRPV1DAGLA
SCHEMBL12414577 0.68 TRPV1 (0.72) MGLLFAAHALDH1A1TRPV1DAGLA
SCHEMBL12414589 0.68 TRPV1 (0.72) MGLLFAAHALDH1A1TRPV1DAGLA
SCHEMBL12414572 0.68 TRPV1 (0.72) MGLLFAAHALDH1A1TRPV1DAGLA
SCHEMBL15030599 0.68 CNR2 (0.61) MGLLFAAHALDH1A1TRPV1CNR2

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
WO-2023283977-A1 USE OF PREPARATION FOR INHIBITING OR BLOCKING INTERACTION BETWEEN FAAH AND NLRP3 华南理工大学 2023-01-19 WO disclosed