SCHEMBL12459662

SCHEMBL12459662

Nc1ccc(CC(=O)N2CCCC2c2ccccn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 8/20 0.48
▸ PPIG Q13427 5/20 0.45
▸ PPIB P23284 3/20 0.45
▸ AADAT Q8N5Z0 1/20 0.44
▸ HSD11B1 P28845 1/20 0.44
▸ ADAM17 P78536 1/20 0.43
▸ PRMT5 O14744 1/20 0.43
▸ WDR77 Q9BQA1 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.42
▸ CPT1A P50416 1/20 0.42
▸ PRCP P42785 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40

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
SCHEMBL14818001 0.88 SMN1; SMN2 (0.52) AADATHSD11B1ADAM17PRMT5WDR77
SCHEMBL14644451 0.83 PPID (0.73) PPIDPPIGPPIB
SCHEMBL19409993 0.83 HSD11B1 (0.48) HSD11B1ADAM17PRMT5WDR77NPC1
SCHEMBL19961321 0.83 ALDH1A1 (0.48) AADATSIGMAR1
SCHEMBL38659451 0.79 HSD11B1 (0.51) HSD11B1ADAM17PRMT5WDR77NPC1
SCHEMBL8296762 0.79 HSD11B1 (0.51) HSD11B1ADAM17PRMT5WDR77NPC1
SCHEMBL1329027 0.77 HSD11B1 (0.55) HSD11B1ADAM17PRMT5WDR77NPC1
SCHEMBL31430923 0.75 PRMT5 (0.55) HSD11B1ADAM17PRMT5WDR77NPC1
SCHEMBL29504572 0.75 PRMT5 (0.55) HSD11B1ADAM17PRMT5WDR77NPC1
SCHEMBL2043216 0.75 PPIB (0.70) PPIDPPIGPPIBHSD11B1ADAM17

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-2343303-A1 PI3-kinase inhibitors Boehringer Ingelheim International GmbH (DE) 2011-07-13 — — EP disclosed
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