SCHEMBL21921376

SCHEMBL21921376

O=C(O)[C@H]1CCCNc2ncc(Br)c(Cl)c2C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 4/20 0.41
▸ CYP1A2 P05177 1/20 0.36
▸ SLC6A1 P30531 2/20 0.33
▸ SLC6A11 P48066 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SLC6A13 Q9NSD5 1/20 0.33

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
SCHEMBL21920774 0.70 — —
SCHEMBL21919955 0.68 MAP4K1 (0.40) —
SCHEMBL30087946 0.66 MAP4K1 (0.45) CYP1A2TSHRLMNA
SCHEMBL21919863 0.66 MAP4K1 (0.45) CYP1A2TSHRLMNA
SCHEMBL28614186 0.66 MAP4K1 (0.45) CYP1A2TSHRLMNA
Hydrochloric Acid SCHEMBL30088084 0.65 MAP4K1 (0.44) —
SCHEMBL14530738 0.64 NNMT (0.38) NNMT
SCHEMBL21920327 0.62 MAP4K1 (0.48) NNMT
SCHEMBL21920324 0.62 MAP4K1 (0.48) NNMT
SCHEMBL30087806 0.62 MAP4K1 (0.48) NNMT

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-2020061377-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-03-26 — — WO disclosed
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