SCHEMBL6302579

SCHEMBL6302579

O=C(O)NCCC1=NCCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALOX15 P16050 2/20 0.33
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NOS3 P29474 4/20 0.31
NOS1 P29475 4/20 0.31
NOS2 P35228 4/20 0.31
TAAR1 Q96RJ0 1/20 0.31
POLB P06746 1/20 0.31
CYP2C19 P33261 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL5598939 0.69
SCHEMBL2113299 0.68 TP53 (0.44) RAB9ATP53LMNAALDH1A1GAA
SCHEMBL1760704 0.65
SCHEMBL8953464 0.65
SCHEMBL8015557 0.64 CYP2D6 (0.41) LMNAMAPTCYP2D6SMN1; SMN2ALOX15
SCHEMBL27581458 0.64 LMNA (0.41) RAB9ATP53LMNAMAPTCYP2D6
SCHEMBL19622238 0.64
SCHEMBL6698418 0.63
Hydrochloric Acid SCHEMBL8615113 0.63 NOS3 (0.38) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL1581097 0.63 MAOA (0.46) LMNAHPGDCYP2D6ALDH1A1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6846833-B2 Vitronectin receptor antagonist bicyclic compounds, preparation method and compositions containing same LES LABORATORIES SERVIER (FR) 2005-01-25 US disclosed
EP-1268429-B1 VITRONECTIN RECEPTOR ANTAGONIST BICYCLIC COMPOUNDS, PREPARATION METHOD AND COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2004-08-18 EP disclosed
EP-1268429-A1 VITRONECTIN RECEPTOR ANTAGONIST BICYCLIC COMPOUNDS, PREPARATION METHOD AND COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2003-01-02 EP disclosed
WO-2001079172-A1 VITRONECTIN RECEPTOR ANTAGONIST BICYCLIC COMPOUNDS, PREPARATION METHOD AND COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER Departament Brevets/Fontanes (FR) 2001-10-25 WO disclosed