SCHEMBL21893719

SCHEMBL21893719

Cn1nc2c(c1-c1cc(F)c(F)c(F)c1)CCN(C(=O)c1ccc3c(cnn3C)c1)C2

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.44
▸ P2RX7 Q99572 5/20 0.43
▸ MGLL Q99685 6/20 0.41
▸ MAOB P27338 2/20 0.41
▸ NAMPT P43490 3/20 0.41
▸ FASN P49327 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ MAOA P21397 1/20 0.39

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
SCHEMBL21893561 0.85 MGLL (0.42) KDM1AP2RX7MGLL
SCHEMBL21894065 0.85 P2RX7 (0.47) P2RX7MGLLNAMPTFASN
SCHEMBL21893584 0.85 MGLL (0.58) P2RX7MGLLNAMPT
SCHEMBL21893709 0.83 MGLL (0.50) P2RX7MGLLNAMPT
SCHEMBL21894513 0.83 MGLL (0.44) P2RX7MGLLNAMPT
SCHEMBL21893831 0.83 MGLL (0.44) P2RX7MGLL
SCHEMBL21893759 0.83 MGLL (0.46) P2RX7MGLLNAMPT
SCHEMBL21893530 0.83 P2RX7 (0.47) P2RX7MGLLNAMPTBRD4CREBBP
SCHEMBL21894036 0.83 MGLL (0.58) P2RX7MGLLNAMPT
SCHEMBL21893967 0.82 MGLL (0.56) 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
Send feedback