SCHEMBL30500463

SCHEMBL30500463

O=c1cc(C#CC2CC2)cc[nH]1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HAO1 Q9UJM8 7/20 0.38
▸ FFAR1 O14842 2/20 0.37
▸ NOTUM Q6P988 1/20 0.35
▸ BACE1 P56817 4/20 0.34
▸ P2RY6 Q15077 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ TBK1 Q9UHD2 1/20 0.33
▸ FFAR4 Q5NUL3 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
SCHEMBL29068124 0.73 HAO1 (0.42) HAO1FFAR1BACE1GRM5FFAR4
SCHEMBL6209834 0.70 — —
SCHEMBL27160636 0.69 ALDH2 (0.37) NOTUMGRM5
SCHEMBL1027196 0.69 — —
SCHEMBL21333512 0.69 — —
SCHEMBL29417247 0.67 PTGES (0.42) HAO1FFAR1BACE1GRM5
SCHEMBL4941651 0.63 GRM5 (0.55) FFAR1GRM5
SCHEMBL4210103 0.62 HAO1 (0.50) HAO1FFAR1GRM5
SCHEMBL28619044 0.61 ALDH1A1 (0.51) FFAR1P2RY6
SCHEMBL15322825 0.61 ALDH1A1 (0.41) FFAR1BACE1P2RY6TBK1

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
CN-116669727-A Triazole-pyridinyl substituted azacyclohexylacetic acid compounds as LPA receptor antagonists 唯久生物有限公司 2023-08-29 — — CN disclosed
Send feedback