SCHEMBL26645493

SCHEMBL26645493

CC1c2cc(-c3ccc(F)c(I)c3)nn2CCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.40
▸ TACR3 P29371 4/20 0.32
▸ TACR2 P21452 1/20 0.31
▸ TACR1 P25103 1/20 0.31
▸ MTOR P42345 1/20 0.30
▸ HRH3 Q9Y5N1 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CPS1 P31327 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
SCHEMBL30622819 0.86 NR1H2 (0.37) GRM5
SCHEMBL30622875 0.85 GRM5 (0.50) GRM5TACR3NPC1LMNARAB9A
SCHEMBL26645190 0.85 GRM5 (0.50) GRM5TACR3NPC1LMNARAB9A
SCHEMBL26645434 0.80 GRM5 (0.39) GRM5TACR3TACR2TACR1NPC1
SCHEMBL30622756 0.72 GRM5 (0.45) GRM5TACR3
SCHEMBL25433103 0.70 GRM5 (0.41) GRM5SMN1; SMN2
SCHEMBL26645168 0.70 GRM5 (0.41) GRM5SMN1; SMN2
SCHEMBL30623037 0.68 NR1H2 (0.43) GRM5
SCHEMBL25431709 0.67 GRM5 (0.39) GRM5
SCHEMBL25434081 0.67 GRM5 (0.39) GRM5

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-2023213882-A1 IRREVERSIBLE MUTEGFR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 — — WO disclosed
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