SCHEMBL17057983

SCHEMBL17057983

O=c1c(OC2CCCCC2)c(N2CCN(CCc3ccccc3)CC2)cnn1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ HTR1A P08908 1/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ADRA1D P25100 2/20 0.42
▸ ADRA1A P35348 2/20 0.42
▸ ADRA1B P35368 2/20 0.42
▸ SIGMAR1 Q99720 2/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ DCTPP1 Q9H773 1/20 0.39

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
SCHEMBL11943439 0.94 MAPT (0.45) MAPTLMNAPOLBALDH1A1MAPK1
SCHEMBL11943820 0.90 HTR1A (0.39) MAPTLMNAPOLBALDH1A1MAPK1
SCHEMBL17058055 0.87 KMT2A (0.45) MAPTLMNAPOLBALDH1A1NPC1
SCHEMBL17058530 0.87 MAPT (0.49) MAPTLMNAPOLBALDH1A1MAPK1
SCHEMBL11943446 0.85 SIGMAR1 (0.46) LMNAPOLBALDH1A1SMN1; SMN2KMT2A
SCHEMBL14081533 0.84 ALDH1A1 (0.46) MAPTLMNAPOLBALDH1A1NPC1
SCHEMBL11943341 0.83 SIGMAR1 (0.48) MAPTLMNAPOLBALDH1A1MAPK1
SCHEMBL11943442 0.83 ALDH1A1 (0.42) MAPTLMNAPOLBALDH1A1HSD17B10
SCHEMBL11943451 0.83 NPC1 (0.43) MAPTLMNAPOLBALDH1A1NPC1
SCHEMBL14080963 0.83 NPC1 (0.43) MAPTLMNAPOLBALDH1A1NPC1

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
EP-2137179-B1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-02 — — EP disclosed
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