SCHEMBL28755231

SCHEMBL28755231

CN1CCN(c2cc(NCC(=O)Nc3ccc(C(F)(F)F)cc3)c3c(=O)n(C)c(=O)n(C)c3n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.52
▸ TSHR P16473 1/20 0.52
▸ MCHR1 Q99705 5/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ TRPA1 O75762 2/20 0.44
▸ MAPT P10636 3/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ LDHA P00338 1/20 0.42
▸ LDHB P07195 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.41
▸ FPR2 P25090 1/20 0.41
▸ HTR6 P50406 1/20 0.39

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
SCHEMBL29671970 1.00 LMNA (0.52) LMNATSHRMCHR1HTR2BTRPA1
SCHEMBL28755175 0.92 LMNA (0.51) LMNATSHRMCHR1TRPA1MAPT
SCHEMBL29671962 0.92 LMNA (0.51) LMNATSHRMCHR1TRPA1MAPT
SCHEMBL29672019 0.91 MAPT (0.50) LMNATSHRMCHR1TRPA1MAPT
SCHEMBL28755228 0.91 MAPT (0.50) LMNATSHRMCHR1TRPA1MAPT
SCHEMBL28755158 0.90 MEN1 (0.47) LMNATSHRMCHR1MAPTSMN1; SMN2
SCHEMBL29671963 0.90 MEN1 (0.47) LMNATSHRMCHR1MAPTSMN1; SMN2
SCHEMBL28755302 0.89 MCHR1 (0.50) LMNATSHRMCHR1HTR2BTRPA1
SCHEMBL29671896 0.89 MCHR1 (0.50) LMNATSHRMCHR1HTR2BTRPA1
SCHEMBL28755369 0.89 MAPT (0.45) TSHRMCHR1HTR2BMAPTL3MBTL1

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-114573582-B 1,2,3, 4-tetrahydropyrido [2,3-d ] pyrimidine compound and preparation method and application thereof 沈阳药科大学 2023-06-16 — — CN claimed
CN-114573582-A 1,2,3, 4-tetrahydropyrido [2,3-d ] pyrimidine compound and preparation method and application thereof 沈阳药科大学 2022-06-03 — — CN claimed
CN-114573582-B 1,2,3, 4-tetrahydropyrido [2,3-d ] pyrimidine compound and preparation method and application thereof 沈阳药科大学 2023-06-16 — — CN disclosed
CN-114573582-A 1,2,3, 4-tetrahydropyrido [2,3-d ] pyrimidine compound and preparation method and application thereof 沈阳药科大学 2022-06-03 — — CN disclosed
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