SCHEMBL30435191

SCHEMBL30435191

NNC(=O)[C@@H]1CCN(Cc2ccccn2)C1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.63
KDM4E B2RXH2 5/20 0.58
POLB P06746 2/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.55
ALDH1A1 P00352 4/20 0.49
MAPT P10636 1/20 0.48
OPRM1 P35372 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
DRD4 P21917 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL21061611 1.00 L3MBTL1 (0.63) L3MBTL1KDM4EPOLBCYP2D6CYP2C19
SCHEMBL29500889 1.00 L3MBTL1 (0.63) L3MBTL1KDM4EPOLBCYP2D6CYP2C19
SCHEMBL21061948 1.00 L3MBTL1 (0.63) L3MBTL1KDM4EPOLBCYP2D6CYP2C19
SCHEMBL21061923 1.00 L3MBTL1 (0.63) L3MBTL1KDM4EPOLBCYP2D6CYP2C19
SCHEMBL21061629 0.84 L3MBTL1 (0.82) L3MBTL1KDM4EPOLBCYP2D6CYP2C19
SCHEMBL21061969 0.84 L3MBTL1 (0.82) L3MBTL1KDM4EPOLBCYP2D6CYP2C19
SCHEMBL30435016 0.82 L3MBTL1 (0.63) L3MBTL1KDM4EPOLBCYP2D6CYP2C19
SCHEMBL21061928 0.82 L3MBTL1 (0.63) L3MBTL1KDM4EPOLBCYP2D6CYP2C19
SCHEMBL28451514 0.82 L3MBTL1 (0.63) L3MBTL1KDM4EPOLBCYP2D6CYP2C19
SCHEMBL28451423 0.82 L3MBTL1 (0.63) L3MBTL1KDM4EPOLBCYP2D6CYP2C19

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-111479813-B Triazolobenzazepines as vasopressin V1A receptor antagonists 吉瑞工厂 2023-03-21 CN disclosed