SCHEMBL21893530

SCHEMBL21893530

Cn1cc(C(=O)N2CCc3c(nn(C)c3-c3cc(F)c(F)c(F)c3)C2)cn1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 5/20 0.47
▸ MGLL Q99685 12/20 0.42
▸ NAMPT P43490 2/20 0.42
▸ BRD4 O60885 1/20 0.41
▸ CREBBP Q92793 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
SCHEMBL21893786 0.89 P2RX7 (0.47) P2RX7MGLLNAMPT
SCHEMBL21893792 0.89 MGLL (0.44) P2RX7MGLL
SCHEMBL21893763 0.87 MGLL (0.59) P2RX7MGLLBRD4CREBBP
SCHEMBL21893775 0.86 P2RX7 (0.48) P2RX7MGLLBRD4CREBBP
SCHEMBL21893992 0.83 MGLL (0.55) P2RX7MGLL
SCHEMBL21894462 0.83 P2RX7 (0.48) P2RX7MGLLNAMPT
SCHEMBL21893719 0.83 KDM1A (0.44) P2RX7MGLLNAMPTBRD4CREBBP
SCHEMBL21893561 0.83 MGLL (0.42) P2RX7MGLL
SCHEMBL21893986 0.82 MGLL (0.56) P2RX7MGLL
SCHEMBL21893764 0.82 MGLL (0.55) P2RX7MGLLNAMPT

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-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 — — WO disclosed
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