SCHEMBL11524943

SCHEMBL11524943

CCc1[nH]cnc1CCNC(=N)NC(N)=O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.31
QPCTL Q9NXS2 1/20 0.31
GABRR1 P24046 1/20 0.31

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
SCHEMBL11523360 0.93 HRH2 (0.34)
SCHEMBL11526828 0.92 XDH (0.32) QPCTQPCTLGABRR1
SCHEMBL11528372 0.89 XDH (0.37)
SCHEMBL11523245 0.88 XDH (0.36)
SCHEMBL11525635 0.87 XDH (0.36)
SCHEMBL11523042 0.87 XDH (0.36)
SCHEMBL11527227 0.87 XDH (0.36)
SCHEMBL11522481 0.87 GABRR1 (0.32) GABRR1
SCHEMBL11527129 0.85 HRH2 (0.34)
SCHEMBL11522630 0.84 HRH4 (0.46) GABRR1

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