SCHEMBL30516886

SCHEMBL30516886

[Li]C(=O)CN1CCC(C#N)CC1.[O-2]

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
LTA4H P09960 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
JAK1 P23458 1/20 0.30
JAK2 O60674 1/20 0.30

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
Lithium Ion SCHEMBL27038869 0.78 HRH3 (0.37) HRH3LTA4HKDM4EALDH1A1JAK1
SCHEMBL27038694 0.75 SMN1; SMN2 (0.41) HRH3LTA4HALDH1A1
SCHEMBL28159166 0.75 HRH3 (0.36) HRH3LTA4HKDM4EALDH1A1
SCHEMBL18838416 0.71 KMT2A (0.50) ALDH1A1
SCHEMBL2477198 0.71 LTA4H (0.36) HRH3LTA4HKDM4EALDH1A1
SCHEMBL11411310 0.71 ALDH1A1 (0.38) LTA4HKDM4EALDH1A1
SCHEMBL26180864 0.70 HSD17B10 (0.37) HRH3LTA4H
SCHEMBL16405709 0.69 DPP4 (0.39) KDM4EALDH1A1JAK1JAK2
SCHEMBL1010131 0.69 KDM4E (0.40) HRH3KDM4E
SCHEMBL1006688 0.69 KDM4E (0.40) HRH3KDM4E

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-116669724-A T-type calcium channel modulators and methods of use thereof 普拉西斯精密医药公司 2023-08-29 CN disclosed