SCHEMBL29778752

SCHEMBL29778752

Cc1ccc(NC(=O)C(C)C2CCN(Cc3ccccc3)CC2)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.60
▸ THRB P10828 2/20 0.57
▸ TSHR P16473 2/20 0.52
▸ MEN1 O00255 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ DCUN1D1 Q96GG9 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47

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
SCHEMBL29778709 0.88 GAA (0.59) GAATHRBTSHRMEN1POLB
SCHEMBL29778725 0.87 SCN4A (0.51) GAATSHRPOLBSMN1; SMN2DCUN1D1
Hydrochloric Acid SCHEMBL7810311 0.81 KMT2A (0.58) POLBKMT2AALDH1A1
SCHEMBL6750641 0.75 OPRM1 (0.54) ALDH1A1CYP2D6
SCHEMBL29778727 0.75 SCN4A (0.50) GAATSHRPOLBSMN1; SMN2DCUN1D1
Hydrochloric Acid SCHEMBL3156656 0.75 ABL1 (0.56) TSHRMEN1KMT2A
SCHEMBL7810400 0.75 ABL1 (0.56) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL29778740 0.74 GAA (0.54) GAATHRBTSHRMEN1POLB
SCHEMBL26096557 0.74 ABL1 (0.54) GAATSHRMEN1KMT2AALDH1A1
SCHEMBL2191304 0.70 GAA (0.55) GAATHRBMEN1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114763335-B 4-Amide piperidine derivative and preparation method and application thereof 江苏谛奇医药科技有限公司 2025-03-18 — — CN disclosed
CN-114763335-A 4-amide piperidine derivative and preparation method and application thereof 江苏谛奇医药科技有限公司 2022-07-19 — — CN disclosed
Send feedback