SCHEMBL3953673

SCHEMBL3953673

COC(=O)c1c(OC)ccc2[nH]ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.53
▸ MTNR1B P49286 1/20 0.53
▸ HTR3E A5X5Y0 1/20 0.53
▸ HTR3B O95264 1/20 0.53
▸ HTR3A P46098 1/20 0.53
▸ HTR3D Q70Z44 1/20 0.53
▸ HTR3C Q8WXA8 1/20 0.53
▸ TUBB4A P04350 3/20 0.44
▸ TUBB P07437 3/20 0.44
▸ TUBA3C P0DPH7 3/20 0.44
▸ TUBA1B P68363 3/20 0.44
▸ TUBA4A P68366 3/20 0.44
▸ TUBB4B P68371 3/20 0.44
▸ TUBB3 Q13509 3/20 0.44
▸ TUBB2A Q13885 3/20 0.44
▸ TUBB8 Q3ZCM7 3/20 0.44
▸ TUBA3E Q6PEY2 3/20 0.44
▸ TUBA1A Q71U36 3/20 0.44
▸ TUBA1C Q9BQE3 3/20 0.44
▸ TUBB6 Q9BUF5 3/20 0.44

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
SCHEMBL6421659 0.82 NR4A2 (0.49) MTNR1AMTNR1BHTR3EHTR3BHTR3A
SCHEMBL31065131 0.81 NR4A2 (0.49) MTNR1AMTNR1BNR4A2CREBBPP2RX7
SCHEMBL21643735 0.81 NR4A2 (0.49) MTNR1AMTNR1BNR4A2CREBBPP2RX7
SCHEMBL13987128 0.81 NR4A2 (0.47) MTNR1AMTNR1BHTR3EHTR3BHTR3A
SCHEMBL2175477 0.80 MTNR1A (0.41) MTNR1AMTNR1BHTR3EHTR3BHTR3A
SCHEMBL6421662 0.79 NR4A2 (0.43) MTNR1AMTNR1BHTR3EHTR3BHTR3A
SCHEMBL29337712 0.78 L3MBTL1 (0.44) MTNR1AMTNR1BTUBB4ATUBBTUBA3C
SCHEMBL30285551 0.78 L3MBTL1 (0.44) MTNR1AMTNR1BTUBB4ATUBBTUBA3C
SCHEMBL31108646 0.77 ALOX5 (0.45) MTNR1AMTNR1BHTR3EHTR3BHTR3A
SCHEMBL7655120 0.75 MTNR1A (0.38) MTNR1AMTNR1BHTR3EHTR3BHTR3A

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-2009030270-A1 DIHYDROINDOLE DERIVATIVES USEFUL IN PARKINSON'S DISEASE NOVARTIS AG (CH) 2009-03-12 — — WO disclosed
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