SCHEMBL28599359

SCHEMBL28599359

O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.71
LMNA P02545 2/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
ALDH1A1 P00352 4/20 0.69
FAAH O00519 2/20 0.67
HTT P42858 3/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
CCR3 P51677 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
GAA P10253 1/20 0.61
NPSR1 Q6W5P4 2/20 0.61
RECQL P46063 1/20 0.61
POLB P06746 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
NPC1 O15118 1/20 0.59

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
SCHEMBL4414755 0.92 KDM4E (0.69) KDM4ELMNAL3MBTL1ALDH1A1FAAH
SCHEMBL4578765 0.91 MEN1 (0.70) KDM4ELMNAL3MBTL1ALDH1A1FAAH
SCHEMBL4577307 0.90 KDM4E (0.67) KDM4ELMNAL3MBTL1ALDH1A1FAAH
Hydrochloric Acid SCHEMBL4577724 0.90 KDM4E (0.67) KDM4ELMNAL3MBTL1ALDH1A1FAAH
SCHEMBL4578859 0.89 ALDH1A1 (0.67) KDM4ELMNAL3MBTL1ALDH1A1FAAH
Hydrochloric Acid SCHEMBL4578881 0.89 KDM4E (0.66) KDM4ELMNAL3MBTL1ALDH1A1FAAH
Hydrochloric Acid SCHEMBL4576674 0.88 ALDH1A1 (0.66) KDM4ELMNAL3MBTL1ALDH1A1FAAH
SCHEMBL13490093 0.88 ALDH1A1 (0.66) KDM4ELMNAL3MBTL1ALDH1A1FAAH
SCHEMBL4578306 0.88 KDM4E (0.64) KDM4ELMNAL3MBTL1ALDH1A1KMT2A
SCHEMBL4576852 0.88 SMN1; SMN2 (0.72) KDM4ELMNAL3MBTL1ALDH1A1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113214140-B Piperidine amide derivative, pharmaceutical composition and application thereof 江苏谛奇医药科技有限公司 2022-09-09 CN disclosed
CN-113214139-B Piperidine amide derivative, preparation method thereof, pharmaceutical composition thereof, single crystal culture method thereof and application thereof 江苏谛奇医药科技有限公司 2022-03-04 CN disclosed
CN-113214140-A Piperidine amide derivative, pharmaceutical composition and application thereof 江苏谛奇医药科技有限公司 2021-08-06 CN disclosed
CN-113214139-A Piperidine amide derivative, preparation method thereof, pharmaceutical composition thereof, single crystal culture method thereof and application thereof 江苏谛奇医药科技有限公司 2021-08-06 CN disclosed