SCHEMBL28604386

SCHEMBL28604386

Cc1ccc(NC2CCN(CC(=O)Nc3ccccc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.60
ALDH1A1 P00352 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
DRD2 P14416 2/20 0.59
DRD4 P21917 2/20 0.59
DRD3 P35462 2/20 0.59
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
NPC1 O15118 1/20 0.58
TP53 P04637 1/20 0.58
RAB9A P51151 1/20 0.58
POLB P06746 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
HTT P42858 1/20 0.57
RECQL P46063 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KCNT1 Q5JUK3 1/20 0.57

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
SCHEMBL14205955 0.89 MEN1 (0.55) ALDH1A1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL3302462 0.86 LMNA (0.70) KCNA5ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL1181426 0.83 DRD4 (0.55) ALDH1A1SMN1; SMN2DRD2DRD4DRD3
SCHEMBL3301180 0.83 LMNA (0.68) KCNA5ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL3309762 0.82 MAPT (0.56) ALDH1A1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL6893687 0.82 ALDH1A1 (0.79) KCNA5ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL15919651 0.82 FAAH (0.65) ALDH1A1SMN1; SMN2KMT2ANPC1TP53
SCHEMBL13118219 0.81 KCNT1 (0.76) ALDH1A1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL18843660 0.81 ALDH1A1 (0.68) KCNA5ALDH1A1KMT2AMEN1NPC1
SCHEMBL18843662 0.81 ALDH1A1 (0.68) KCNA5ALDH1A1KMT2AMEN1NPC1

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