SCHEMBL7207464

SCHEMBL7207464

O=C(O)CNC(=O)CCCc1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
KDM6B O15054 1/20 0.47
KDM4D Q6B0I6 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL402513 0.85 HDAC1 (0.66) LMNAHPGDTSHRHDAC1HDAC3
SCHEMBL18381418 0.81 LMNA (0.68) LMNAHPGDTSHRHDAC1HDAC3
SCHEMBL1624984 0.81 HDAC3 (0.67) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL9369915 0.80 LMNA (0.67) LMNAHPGDTSHRHDAC1HDAC3
SCHEMBL7207436 0.80 TRPV1 (0.50) HPGDHDAC1HDAC3HDAC2HDAC8
SCHEMBL9579610 0.79 L3MBTL1 (0.49) LMNATSHRHDAC1HDAC3HDAC2
SCHEMBL16353595 0.79 LMNA (0.61) LMNATSHRHDAC1HDAC3HDAC2
SCHEMBL13851688 0.79 HDAC2 (0.63) LMNAHPGDTSHRHDAC1HDAC3
Hydrochloric Acid SCHEMBL6644828 0.79 HDAC3 (0.64) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL7607135 0.79 HDAC1 (0.68) LMNAHPGDTSHRHDAC1HDAC3

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-1030831-A4 PROCESS FOR THE PREPARATION OF AZACYCLOALKYLALKANOYL PSEUDOTETRAPEPTIDES AVENTIS PHARM PROD INC (US) 2003-01-02 EP 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