SCHEMBL23615410

SCHEMBL23615410

CC(Cc1ccccc1)NC(=O)CCCCCN

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.61
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.56
LMNA P02545 1/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 1/20 0.51
ITGB3 P05106 2/20 0.50
ITGA2B P08514 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50

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
SCHEMBL25674461 1.00 MMP2 (0.61) MMP2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL14295054 0.87 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL17231646 0.83 NPC1 (0.55) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL19293154 0.83 NPC1 (0.58) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL11648896 0.83 ITGB3 (0.69) MMP2ITGB3ITGA2B
SCHEMBL14345777 0.82 NPC1 (0.69) MMP2NPC1RAB9ALMNAKMT2A
SCHEMBL13956896 0.81 HDAC3 (0.58) MMP2ITGB3ITGA2BHDAC3HDAC4
SCHEMBL8863136 0.81 MMP2 (0.59) MMP2ITGB3ITGA2BHDAC3HDAC4
SCHEMBL22331980 0.80 RAB9A (0.67) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL3456224 0.80 RAB9A (0.67) NPC1RAB9ASMN1; SMN2LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4098248-A1 ORAL SOLUTIONS COMPRISING LISDEXAMFETAMINE SALTS LABOMED PHARMACEUTICAL COMPANY S.A. (GR) 2022-12-07 EP disclosed
WO-2021136602-A1 ORAL SOLUTIONS COMPRISING LISDEXAMFETAMINE SALTS LABOSERVE PHARMACEUTICAL COMPANY S.A. (GR) 2021-07-08 WO disclosed
EP-3845215-A1 ORAL SOLUTIONS COMPRISING LISDEXAMFETAMINE SALTS Laboserve Pharmaceutical Company S.A. (GR) 2021-07-07 EP disclosed