SCHEMBL29142416

SCHEMBL29142416

CC(C)(C)N(CC1CCNc2cccnc21)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ LMNA P02545 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ SSTR1 P30872 1/20 0.30
▸ SSTR4 P31391 1/20 0.30
▸ AGTR1 P30556 1/20 0.30
▸ AGTR2 P50052 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ FFAR4 Q5NUL3 1/20 0.30
▸ IDH1 O75874 1/20 0.30

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
SCHEMBL29142426 0.78 KDM4C (0.37) P2RX7KMT2APOLBMEN1HTT
SCHEMBL27094510 0.74 P2RX7 (0.33) P2RX7
SCHEMBL21920702 0.73 FNTA (0.33) L3MBTL1
SCHEMBL30031899 0.72 ACACB (0.43) L3MBTL1KDM4E
SCHEMBL8141122 0.68 F12 (0.36) P2RX7KDM4E
SCHEMBL34463425 0.66 GSK3B (0.34) TDP1KMT2APOLBMEN1KDM4E
SCHEMBL31669380 0.65 GSK3B (0.33) P2RX7
SCHEMBL19153952 0.65 GSK3B (0.40) —
SCHEMBL16292529 0.64 ALOX5 (0.39) KMT2AMEN1HTTL3MBTL1LMNA
SCHEMBL927784 0.64 GABRA5 (0.39) TSHR

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
CN-117177977-A Bicyclic pyridine derivatives 住友制药株式会社 2023-12-05 — — CN disclosed
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