SCHEMBL23618430

SCHEMBL23618430

CN[C@@H](CCCCN)C(=O)N[C@H](C)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ MMP2 P08253 1/20 0.49
▸ LMNA P02545 1/20 0.47
▸ CPA1 P15085 1/20 0.47
▸ CPA2 P48052 1/20 0.47
▸ CPA4 Q9UI42 1/20 0.47
▸ ANPEP P15144 1/20 0.47
▸ TLR2 O60603 1/20 0.46
▸ TAAR1 Q96RJ0 3/20 0.46
▸ SLC18A2 Q05940 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ GNPAT O15228 1/20 0.46
▸ MMP1 P03956 1/20 0.45
▸ MMP3 P08254 1/20 0.45

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
SCHEMBL24701921 1.00 NPC1 (0.52) NPC1RAB9AMMP2LMNACPA1
SCHEMBL20844609 1.00 NPC1 (0.52) NPC1RAB9AMMP2LMNACPA1
SCHEMBL12285408 0.89 CPA1 (0.59) NPC1RAB9AMMP2LMNACPA1
SCHEMBL21788139 0.88 GNPAT (0.53) MMP2GNPATMMP1MMP3
SCHEMBL20844610 0.87 NPC1 (0.52) NPC1RAB9ALMNATAAR1SLC18A2
SCHEMBL12947602 0.86 MMP2 (0.61) NPC1RAB9AMMP2MMP1MMP3
SCHEMBL20159738 0.86 MMP2 (0.57) MMP2GNPATMMP1MMP3
SCHEMBL3183858 0.85 MMP2 (0.48) NPC1RAB9AMMP2CPA1CPA2
SCHEMBL12288572 0.85 GNPAT (0.58) NPC1RAB9AMMP2LMNACPA1
SCHEMBL30917923 0.85 GNPAT (0.61) MMP2TLR2GNPAT

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 2 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
Send feedback