SCHEMBL21893763

SCHEMBL21893763

Cn1cc(-c2cccc(C(=O)N3CCc4c(nn(C)c4-c4cc(F)c(F)c(F)c4)C3)c2)cn1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.59
▸ P2RX7 Q99572 7/20 0.48
▸ CREBBP Q92793 4/20 0.48
▸ BRD4 O60885 3/20 0.46
▸ CDK4 P11802 3/20 0.42
▸ CCND1 P24385 3/20 0.42

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
SCHEMBL21893530 0.87 P2RX7 (0.47) MGLLP2RX7CREBBPBRD4
SCHEMBL21893775 0.87 P2RX7 (0.48) MGLLP2RX7CREBBPBRD4
SCHEMBL21893968 0.86 P2RX7 (0.47) MGLLP2RX7CREBBPBRD4CDK4
SCHEMBL21893971 0.84 MGLL (0.60) MGLLP2RX7
SCHEMBL21893602 0.83 MGLL (0.58) MGLLP2RX7
SCHEMBL21893595 0.83 P2RX7 (0.48) MGLLP2RX7CREBBPBRD4
SCHEMBL21893593 0.83 MGLL (0.58) MGLLP2RX7CDK4CCND1
SCHEMBL21818338 0.81 MGLL (0.64) MGLLCREBBP
SCHEMBL32682503 0.81 MGLL (0.64) MGLLCREBBP
SCHEMBL21893719 0.80 KDM1A (0.44) MGLLP2RX7CREBBPBRD4

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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