SCHEMBL7206701

SCHEMBL7206701

CCN(CC(=O)O)C(=O)CCCc1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
NPC1 O15118 2/20 0.45
TSHR P16473 3/20 0.45
USP2 O75604 2/20 0.45
LMNA P02545 4/20 0.44
TBXAS1 P24557 3/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
MAPT P10636 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 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
SCHEMBL7380533 0.84 ALOX5 (0.45) RAB9ANPC1TSHRUSP2TBXAS1
SCHEMBL7992967 0.83 ALOX5 (0.56) RAB9ANPC1LMNACYP2C9CYP2C19
SCHEMBL7862392 0.81 ALOX5 (0.48) RAB9ANPC1TSHRLMNAHSD17B10
SCHEMBL7992970 0.79 SMN1; SMN2 (0.42) MAPK1HDAC3ADRA1AHDAC4SLC6A3
SCHEMBL1624984 0.77 HDAC3 (0.67) TBXAS1CYP2C9CYP2C19HSD17B10MAPT
SCHEMBL19302002 0.76 ALOX5 (0.62) RAB9ANPC1TSHRLMNAHSD17B10
Hydrochloric Acid SCHEMBL6644828 0.76 HDAC3 (0.64) TBXAS1CYP2C9CYP2C19HSD17B10MAPT
SCHEMBL1678232 0.75 HDAC3 (0.47) TSHRLMNAHDAC3HDAC1SMN1; SMN2
SCHEMBL10568746 0.73 SMN1; SMN2 (0.50) NPC1TSHRLMNAHDAC3HDAC1
SCHEMBL7380546 0.73 ALOX5 (0.48) RAB9ANPC1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1030831-A4 PROCESS FOR THE PREPARATION OF AZACYCLOALKYLALKANOYL PSEUDOTETRAPEPTIDES AVENTIS PHARM PROD INC (US) 2003-01-02 EP disclosed
US-6180759-B1 PREPARING AZACYCLOALKANOYLPSEUDOTETRAPEPTIDES COMPRISING COUPLING A DIPEPTIDE WITH A PSEUDODIPEPTIDE; FOR EXAMPLE, N-(N-ETHYL-N-(1-OXO-4-(4-PIPERIDINYL)BUTYL)GLYCYL)-(L)-ALPHA-ASPARTYL-3 -CYCLOHEXYL-(L)-ALANINEAMIDE; USE AS ANTICOAGULANTS AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-01-30 US disclosed
CN-1278791-A Process for the preparation of azacyclkylalkanoyl pseudotetrapeptides HOECHST PHARMA (US) 2001-01-03 CN disclosed
EP-1030831-A1 PROCESS FOR THE PREPARATION OF AZACYCLOALKYLALKANOYL PSEUDOTETRAPEPTIDES Aventis Pharmaceuticals Products Inc. (US) 2000-08-30 EP disclosed
WO-1999019294-A1 PROCESS FOR THE PREPARATION OF AZACYCLOALKYLALKANOYL PSEUDOTETRAPEPTIDES AVENTIS PHARMACEUTICALS PRODUCTS INC. LEGAL/PATENTS (US) 1999-04-22 WO disclosed