SCHEMBL11525286

SCHEMBL11525286

N=C(NCCCc1c[nH]cn1)NC(N)=O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.32

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
Oxalic Acid SCHEMBL11524306 0.95 HRH2 (0.32) HRH2
SCHEMBL11526675 0.92 MAPK1 (0.32)
Hydrochloric Acid SCHEMBL11524457 0.90 MAPK1 (0.31)
SCHEMBL11522971 0.83
SCHEMBL2791864 0.83 MEN1 (0.34)
SCHEMBL11036952 0.83 HRH2 (0.30) HRH2
Hydrochloric Acid SCHEMBL11527337 0.82
Hydrochloric Acid SCHEMBL11040900 0.81
Sulfuric Acid SCHEMBL6755182 0.80 ALOX15 (0.43)
SCHEMBL7994725 0.78 L3MBTL1 (0.33)

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-4166860-A TREATMENT OF ACHLORHYDRIA AND DYSMENORRHEA WILLIAM H. RORER, INC. (US) 1979-09-04 US claimed
US-4166860-A TREATMENT OF ACHLORHYDRIA AND DYSMENORRHEA WILLIAM H. RORER, INC. (US) 1979-09-04 US disclosed