SCHEMBL28885286

SCHEMBL28885286

O=C(O)C1CC2(CCNCC2)CN1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADAM10 O14672 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41

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
SCHEMBL203727 0.92 ADAM10 (0.48) HTR2CNPC1RAB9ASMN1; SMN2ADAM10
SCHEMBL6120151 0.92 ADAM10 (0.48) HTR2CNPC1RAB9ASMN1; SMN2ADAM10
SCHEMBL16554922 0.88 HTR2C (0.44) HTR2CSMN1; SMN2ADAM10MMP2MMP3
SCHEMBL16554923 0.88 HTR2C (0.44) HTR2CSMN1; SMN2ADAM10MMP2MMP3
Hydrochloric Acid SCHEMBL16555025 0.87 HTR2C (0.43) HTR2CADAM10MMP2MMP3MMP9
Hydrochloric Acid SCHEMBL16555026 0.87 HTR2C (0.43) HTR2CADAM10MMP2MMP3MMP9
SCHEMBL1440900 0.86 MEN1 (0.50) HTR2CNPC1RAB9ASMN1; SMN2ADAM10
Hydrochloric Acid SCHEMBL27225666 0.81 HTR2C (0.44) HTR2CNPC1RAB9ASMN1; SMN2ADAM10
SCHEMBL12559646 0.80 NPC1 (0.49) HTR2CNPC1RAB9ASMN1; SMN2PSEN1
SCHEMBL17377956 0.80 NPC1 (0.49) HTR2CNPC1RAB9ASMN1; SMN2PSEN1

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-108440507-B Compound as apoptosis protein inhibitor and application thereof 南京圣和药物研发有限公司 2022-10-18 CN disclosed