SCHEMBL30865830

SCHEMBL30865830

CCC(=O)Nc1ccc(-c2ccccc2)c(CN2CCOCC2)c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MOK Q9UQ07 7/20 0.63
TRPV1 Q8NER1 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
CNR2 P34972 1/20 0.51
ALDH1A1 P00352 4/20 0.49
MAPT P10636 1/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL30865839 0.80 MOK (0.47) MOKTRPV1RAB9ACNR2ALDH1A1
SCHEMBL12991795 0.77 TRPV1 (0.56) TRPV1SMN1; SMN2ALDH1A1MAPTCYP3A4
SCHEMBL19475600 0.77 MOK (1.00) MOK
SCHEMBL18569641 0.76 TRPV1 (0.64) TRPV1
SCHEMBL13681862 0.76 CYP3A4 (0.56) SMN1; SMN2NPC1RAB9ACNR2ALDH1A1
SCHEMBL12991473 0.76 ALDH1A1 (0.58) TRPV1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL28792775 0.75 CYP2C9 (0.67) SMN1; SMN2NPC1RAB9AALDH1A1CYP3A4
SCHEMBL13038406 0.73 CYP3A4 (0.53) TRPV1ALDH1A1MAPTLMNACYP3A4
SCHEMBL12992555 0.73 TRPV1 (1.00) TRPV1
SCHEMBL28792758 0.72 DRD2 (0.54) TRPV1SMN1; SMN2ALDH1A1CYP3A4CYP2D6

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
CN-117917402-A Isoindolylamide compound, and pharmaceutical composition and application thereof 暨南大学 2024-04-23 CN disclosed