SCHEMBL31536366

SCHEMBL31536366

CC1(CCN)N=C(CCN)C(CCN)=N1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL31751561 0.66
SCHEMBL14990559 0.62
Hydrochloric Acid SCHEMBL2369586 0.60
SCHEMBL22418811 0.60
SCHEMBL13978273 0.55 LOXL2 (0.35)
SCHEMBL13381574 0.55
SCHEMBL18083181 0.53
SCHEMBL18104733 0.51
Hydrochloric Acid SCHEMBL15269764 0.49
SCHEMBL14160527 0.49 CHRM2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119979524-A Method for improving enzyme activity of in-situ immobilized enzyme and application thereof 国科温州研究院(温州生物材料与工程研究所) 2025-05-13 CN disclosed