SCHEMBL29211484

SCHEMBL29211484

CN1CCN(c2nsc(OC(N)=O)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 11/20 0.40
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
HTT P42858 1/20 0.38
PARP1 P09874 1/20 0.35
KMT2A Q03164 1/20 0.34
CHEK1 O14757 1/20 0.33
HTR3A P46098 1/20 0.33

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
SCHEMBL24936706 0.71 HRH4 (0.49) HRH4KMT2AHTR3A
SCHEMBL28767631 0.69 P2RX3 (0.31)
SCHEMBL16192149 0.66 CHRM2 (0.31)
SCHEMBL24936718 0.66 CA1 (0.38) HRH4
SCHEMBL29211469 0.65
SCHEMBL29011021 0.65
SCHEMBL24256392 0.65 HTR3A (0.41) HRH4HTR3A
SCHEMBL28952056 0.65 ALDH1A1 (0.41) KMT2A
SCHEMBL4472198 0.64 HRH4 (0.43) HRH4HTTKMT2A
SCHEMBL28106920 0.63 GAA (0.56) KDM4EPARP1KMT2ACHEK1HTR3A

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
CN-117999256-A Protein secretion inhibitor 分子门生物科技公司 2024-05-07 CN disclosed