SCHEMBL22557005

SCHEMBL22557005

N#Cc1cccc(-c2cnc(C(=O)N[C@@H]3C[C@@H](C(F)F)N(C#N)C3)o2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.45
▸ USP30 Q70CQ3 7/20 0.41
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ HDAC1 Q13547 4/20 0.36
▸ HDAC6 Q9UBN7 4/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ DGAT2 Q96PD7 1/20 0.35
▸ FLT1 P17948 1/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ GRM5 P41594 1/20 0.35

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
SCHEMBL22557381 0.89 FAAH (0.49) FAAHUSP30CA12CA1CA2
SCHEMBL22557064 0.88 FAAH (0.48) FAAHUSP30CA12CA1CA2
SCHEMBL22557053 0.86 FAAH (0.47) FAAHUSP30CA12CA1CA2
SCHEMBL22557556 0.85 FAAH (0.46) FAAHUSP30CA12CA1CA2
SCHEMBL25213012 0.82 FAAH (0.45) FAAHUSP30CA12CA1CA2
SCHEMBL25214308 0.82 FAAH (0.45) FAAHUSP30CA12CA1CA2
SCHEMBL22557010 0.82 FAAH (0.45) FAAHUSP30CA12CA1CA2
SCHEMBL22557644 0.81 FAAH (0.47) FAAHUSP30CA12CA1CA2
SCHEMBL25215099 0.80 FAAH (0.43) FAAHUSP30CA12CA1CA2
SCHEMBL22585725 0.79 USP30 (0.57) FAAHUSP30

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020212350-A1 SUBSTITUTED CYANOPYRROLIDINES WITH ACTIVITY AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2020-10-22 — — WO claimed
WO-2020212350-A1 SUBSTITUTED CYANOPYRROLIDINES WITH ACTIVITY AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2020-10-22 — — WO disclosed
WO-2020212350-A1 SUBSTITUTED CYANOPYRROLIDINES WITH ACTIVITY AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2020-10-22 — — WO disclosed
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