SCHEMBL5208438

SCHEMBL5208438

O=C(CC1CN(C(=O)Nc2ccccc2)CCN1)NCc1ccc2c(c1)CCC2

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.54
CXCR4 P61073 1/20 0.45
NAMPT P43490 2/20 0.42
TP53 P04637 3/20 0.42
MAPK14 Q16539 1/20 0.41
NPC1 O15118 6/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CCR3 P51677 1/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
STAT1 P42224 1/20 0.39

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
SCHEMBL5191220 0.84 FAAH (0.51) FAAHTP53NPC1POLBTDP1
SCHEMBL5194091 0.81 FAAH (0.53) FAAHNPC1TDP1CCR3RAB9A
SCHEMBL5195403 0.81 HPGD (0.42) NAMPTTP53MAPK14NPC1RAB9A
SCHEMBL5193432 0.76 MAPT (0.50) FAAHNAMPTTP53CCR3RAB9A
SCHEMBL5193648 0.75 POLB (0.53) FAAHCXCR4TP53NPC1POLB
SCHEMBL5193739 0.73 PKM (0.56) POLBTDP1CCR3RAB9ASMN1; SMN2
SCHEMBL5193499 0.73 FAAH (0.52) FAAHNAMPTCCR3SMN1; SMN2MEN1
SCHEMBL5191591 0.73 TP53 (0.53) TP53NPC1POLBTDP1RAB9A
SCHEMBL5210355 0.71 CCR2 (0.50) TP53NPC1CCR3RAB9ALMNA
SCHEMBL5192584 0.71 CCR3 (0.51) FAAHNAMPTCCR3SMN1; SMN2LMNA

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-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 EP claimed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 EP claimed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 WO claimed