SCHEMBL8875819

SCHEMBL8875819

CCC(C)n1nc(C(N)=O)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 3/20 0.50
▸ SCN9A Q15858 1/20 0.44
▸ HTR4 Q13639 5/20 0.42
▸ CNR1 P21554 2/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ CFD P00746 4/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAP3K14 Q99558 1/20 0.41
▸ PARP1 P09874 1/20 0.40
▸ SMN1; SMN2 Q16637 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
SCHEMBL8874909 0.89 ELANE (0.48) ELANESCN9AHTR4CNR1CNR2
SCHEMBL6956554 0.87 KMT2A (0.46) ELANEHTR4KMT2AKDM4E
SCHEMBL6956867 0.87 KMT2A (0.46) ELANEHTR4KMT2AKDM4E
SCHEMBL8876561 0.87 ELANE (0.51) ELANESCN9AHTR4CNR1CNR2
SCHEMBL6956548 0.87 KMT2A (0.46) ELANEHTR4KMT2AKDM4E
SCHEMBL6956835 0.86 HTR4 (0.43) ELANEHTR4KMT2AKDM4E
SCHEMBL6956828 0.86 HTR4 (0.43) ELANEHTR4KMT2AKDM4E
SCHEMBL6950067 0.86 HTR4 (0.43) ELANEHTR4KMT2AKDM4E
SCHEMBL4777015 0.85 ELANE (0.55) ELANESCN9AHTR4KMT2AKDM4E
Hydrochloric Acid SCHEMBL27569092 0.84 ELANE (0.54) ELANESCN9AHTR4KMT2A

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-5684003-A GASTROINTESTINAL DISORDERS OR ANTIULCER AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-11-04 — — US claimed
US-5684003-A GASTROINTESTINAL DISORDERS OR ANTIULCER AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-11-04 — — US disclosed
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