SCHEMBL26645186

SCHEMBL26645186

C[C@H]1Cn2nc(-c3ccc(Cl)cc3)cc2CN1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 7/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ SLC6A7 Q99884 2/20 0.38
▸ TACR3 P29371 2/20 0.37
▸ SMO Q99835 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL26645559 1.00 GRM5 (0.39) GRM5SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL26645526 0.88 GRM5 (0.50) GRM5MAPTTACR3SMO
SCHEMBL26645151 0.88 GRM5 (0.50) GRM5MAPTTACR3SMO
SCHEMBL26645036 0.85 GRM5 (0.39) GRM5SMO
SCHEMBL26645490 0.85 GRM5 (0.39) GRM5SMO
SCHEMBL30622912 0.84 CACNB4 (0.39) GRM5KDM4EHPGDHSD17B10TACR3
SCHEMBL30622811 0.84 CACNB4 (0.39) GRM5KDM4EHPGDHSD17B10TACR3
SCHEMBL26645253 0.75 GRM5 (0.41) GRM5
SCHEMBL26645161 0.75 GRM5 (0.41) GRM5
SCHEMBL26645248 0.75 GRM5 (0.41) 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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