SCHEMBL6753270

SCHEMBL6753270

CC(C)n1c2c(c3cc(NC(=O)Oc4ccccc4)ccc31)CCCC2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 4/20 0.47
▸ ALDH1A1 P00352 5/20 0.46
▸ GAA P10253 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ P2RX3 P56373 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ BRD4 O60885 1/20 0.45
▸ NPY5R Q15761 3/20 0.45
▸ MAPT P10636 4/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ RORC P51449 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ THRB P10828 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4174366 0.72 NPY5R (0.46) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL13840449 0.70 NPY5R (0.46) PTGDR2ALDH1A1MEN1KMT2AP2RX3
SCHEMBL3386295 0.70 ALDH1A1 (0.52) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL13840445 0.69 GNRHR (0.45) PTGDR2GAAMEN1KMT2AP2RX3
SCHEMBL6754538 0.68 HTR6 (0.45) PTGDR2MEN1KMT2AP2RX3LMNA
SCHEMBL16000906 0.67 ALDH1A1 (0.64) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL1013517 0.67 CYP1A2 (0.65) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL15890231 0.67 NPC1 (0.64) ALDH1A1GAAMEN1KMT2ATP53
SCHEMBL29791442 0.67 NPC1 (0.64) ALDH1A1GAAMEN1KMT2ATP53
SCHEMBL8063648 0.66 ALDH1A1 (0.82) ALDH1A1GAAMEN1KMT2ALMNA

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
US-6713473-B1 6-CARBAMATE-1,2,3,4-TETRAHYDROCARBAZOLE DERIVATIVES; AFFINITY FOR NEUROPEPTIDE Y RECEPTORS MEIJI SEIKA KAISHA, LTD. (JP) 2004-03-30 — — US disclosed
EP-1184373-A1 TRICYCLIC COMPOUNDS MEIJI SEIKA KAISHA LTD. (JP) 2002-03-06 — — EP disclosed
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