SCHEMBL8179890

SCHEMBL8179890

C[C@H]1CC[C@@](N)(C(=O)O)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 8/20 0.52
▸ CYP1A2 P05177 4/20 0.52
▸ CYP2C19 P33261 4/20 0.52
▸ GRM2 Q14416 3/20 0.52
▸ GRM3 Q14832 3/20 0.52
▸ ALOX15 P16050 3/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ GRM8 O00222 2/20 0.52
▸ GRM6 O15303 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ GRM5 P41594 1/20 0.52
▸ MTOR P42345 1/20 0.52
▸ GRM1 Q13255 1/20 0.52
▸ PLCB1 Q9NQ66 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43

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
SCHEMBL14372097 1.00 GRM4 (0.52) GRM4CYP1A2CYP2C19GRM2GRM3
SCHEMBL2906281 1.00 GRM4 (0.52) GRM4CYP1A2CYP2C19GRM2GRM3
Hydrochloric Acid SCHEMBL28534660 0.98 GRM4 (0.50) GRM4CYP1A2CYP2C19GRM2GRM3
SCHEMBL31415502 0.92 GRM4 (0.46) GRM4CYP1A2CYP2C19GRM2GRM3
SCHEMBL31415320 0.92 GRM4 (0.46) GRM4CYP1A2CYP2C19GRM2GRM3
SCHEMBL2898361 0.86 GRM4 (0.59) GRM4CYP1A2CYP2C19GRM2GRM3
SCHEMBL912861 0.78 GRM4 (0.54) GRM4CYP1A2CYP2C19GRM2GRM3
SCHEMBL544530 0.78 GRM4 (0.54) GRM4CYP1A2CYP2C19GRM2GRM3
SCHEMBL5007909 0.78 GRM4 (0.54) GRM4CYP1A2CYP2C19GRM2GRM3
SCHEMBL5007910 0.78 GRM4 (0.54) GRM4CYP1A2CYP2C19GRM2GRM3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023081730-A1 4-HYDROXY-2-OXO-1,2-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXAMIDE DERIVATIVES AS CANNABINOID CB2 RECEPTOR MODULATORS FOR THE TREATMENT OF CANCER TEON THERAPEUTICS, INC. (US) 2023-05-11 — — WO disclosed
US-6140358-A FOR CONTROLLING PESTS AND WEEDS BAYER AKTIENGESELLSCHAFT (DE) 2000-10-31 — — US disclosed
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