SCHEMBL24187976

SCHEMBL24187976

CCc1cnc(N2CC3(CCOCC3)C2)c(C(=O)Nc2ccc(C=O)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ RCE1 Q9Y256 1/20 0.38
▸ VCP P55072 1/20 0.38
▸ MAPT P10636 5/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ VNN1 O95497 2/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ TP53 P04637 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34

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
SCHEMBL20619600 0.88 SCN10A (0.42) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL20619615 0.84 SCN10A (0.37) LMNAALDH1A1MAPTPDE4BTP53
SCHEMBL24187946 0.84 BACE1 (0.37) ALDH1A1MAPTPDE4BSCN10A
SCHEMBL20620052 0.81 ALDH1A1 (0.48) ALDH1A1MAPTRAB9A
SCHEMBL20619503 0.80 HCK (0.38) LMNAALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL17845839 0.79 OPRK1 (0.48) LMNAVNN1
SCHEMBL17845850 0.79 VNN1 (0.40) LMNAALDH1A1SMN1; SMN2VNN1
SCHEMBL20619918 0.78 SCN10A (0.41) ALDH1A1SMN1; SMN2KDM4EMAPTRAB9A
SCHEMBL20619910 0.76 MAPT (0.41) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL20597986 0.76 MAPK1 (0.42) ALDH1A1SMN1; SMN2MAPTRAB9APOLB

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
WO-2022010882-A1 DIHYDROQUINOXALINE AND DIHYDROPYRIDOPYRAZINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC, (US) 2022-01-13 — — WO disclosed
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