SCHEMBL29138764

SCHEMBL29138764

CC1CN(C2CCCC2)CCN1C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
CHRM2 P08172 5/20 0.35
DPP4 P27487 1/20 0.34
KDM2B Q8NHM5 1/20 0.33
PHGDH O43175 1/20 0.33
MGLL Q99685 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL28133521 0.98 DPP4 (0.37) ALDH1A1CHRM2DPP4PHGDHMGLL
SCHEMBL13414049 0.98 DPP4 (0.37) ALDH1A1CHRM2DPP4PHGDHMGLL
Water SCHEMBL28133520 0.96 CHRM2 (0.36) ALDH1A1CHRM2DPP4PHGDHMGLL
SCHEMBL21120632 0.96 ALDH1A1 (0.37) ALDH1A1CHRM2DPP4KDM2BSMN1; SMN2
SCHEMBL29335274 0.96 ALDH1A1 (0.37) ALDH1A1CHRM2DPP4KDM2BSMN1; SMN2
SCHEMBL10274614 0.85 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2
SCHEMBL27811142 0.85 ALDH1A1 (0.42) ALDH1A1KDM4E
SCHEMBL24070515 0.83 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2LMNA
SCHEMBL13559795 0.83 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2LMNA
SCHEMBL153090 0.83 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2LMNA

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-113646081-B Mesoporous catalyst compounds and uses thereof 埃克森美孚科技工程公司 2024-01-09 CN disclosed