SCHEMBL11190030

SCHEMBL11190030

CCCCN1CCc2c3n(c4ccccc24)C(=O)N(CC(=O)OCC)CC31

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE1A P54750 2/20 0.40
▸ PDE1B Q01064 2/20 0.40
▸ PDE1C Q14123 2/20 0.40
▸ KDM4E B2RXH2 5/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ LMNA P02545 4/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ DRD3 P35462 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
SCHEMBL11177134 0.87 TSHR (0.41) PDE1APDE1BPDE1CKDM4EALDH1A1
SCHEMBL11182845 0.86 PDE5A (0.39) PDE1APDE1BPDE1CKDM4EALDH1A1
SCHEMBL11178335 0.86 PDE5A (0.38) PDE1APDE1BPDE1CKDM4EALDH1A1
SCHEMBL11181997 0.86 NPC1 (0.41) PDE1AKDM4EALDH1A1LMNAMEN1
SCHEMBL11179554 0.85 PDE5A (0.36) PDE1APDE1BPDE1CKDM4EALDH1A1
SCHEMBL11173677 0.84 PTGDR2 (0.38) KDM4EALDH1A1LMNACYP3A4NR1I2
SCHEMBL11181993 0.84 CYP3A4 (0.38) PDE1AKDM4EALDH1A1LMNACYP3A4
SCHEMBL11178895 0.82 PDE5A (0.41) PDE1AKDM4EALDH1A1L3MBTL1LMNA
Hydrochloric Acid SCHEMBL11190666 0.81 PDE5A (0.40) PDE1APDE1BPDE1CKDM4EALDH1A1
SCHEMBL11177813 0.80 CYP3A4 (0.39) KDM4EALDH1A1LMNAMEN1KMT2A

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
US-4367230-A ANTIANOXIC AGENTS TANABE SEIYAKU CO., LTD. (JP) 1983-01-04 — — US disclosed
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