SCHEMBL25326041

SCHEMBL25326041

C[C@H]1CC=C(c2ccc3nn(C)cc3c2)N(C(=O)O)C1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 15/20 0.38
▸ GRM1 Q13255 15/20 0.38
▸ HTR2B P41595 2/20 0.37
▸ KDM1A O60341 3/20 0.36
▸ SCD5 Q86SK9 1/20 0.36
▸ KDM4E B2RXH2 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
SCHEMBL30886178 0.85 GRM5 (0.37) GRM5GRM1HTR2B
SCHEMBL30886968 0.85 GRM5 (0.37) GRM5GRM1HTR2B
SCHEMBL25914460 0.85 GRM5 (0.37) GRM5GRM1HTR2B
SCHEMBL25319331 0.83 TLR8 (0.39) —
Bicarbonate SCHEMBL25323696 0.82 HDAC8 (0.33) —
SCHEMBL25322655 0.82 TLR8 (0.37) —
SCHEMBL25323112 0.80 NPC1 (0.44) KDM4E
SCHEMBL25322039 0.79 NPC1 (0.40) KDM4E
SCHEMBL30886216 0.78 MAPT (0.40) KDM4E
SCHEMBL25325052 0.77 NOTUM (0.36) SCD5KDM4E

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-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
Send feedback