SCHEMBL8940284

SCHEMBL8940284

O=C(NCc1ccccc1)c1ccc(COC(=O)N2CCC(N3CCCCC3=O)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
F2 P00734 1/20 0.48
PLG P00747 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
TPSAB1 Q15661 1/20 0.48
TPSD1 Q9BZJ3 1/20 0.48
TPSG1 Q9NRR2 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP2C19 P33261 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
FKBP1A P62942 1/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL4872217 0.89 SMN1; SMN2 (0.60) HDAC1HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL2855664 0.88 SMN1; SMN2 (0.58) HDAC1HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL6969799 0.86 SMN1; SMN2 (0.61) HDAC1HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL18032527 0.83 SMN1; SMN2 (0.54) HDAC1HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL31435518 0.82 SMN1; SMN2 (0.58) HDAC1HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL4869972 0.78 SMN1; SMN2 (0.60) HDAC1HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL12815027 0.78 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL5866432 0.76 CA1 (0.51) HDAC1HDAC6F2PRSS1SMN1; SMN2
SCHEMBL23187621 0.76 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19L3MBTL1
SCHEMBL17825392 0.75 SMN1; SMN2 (0.58) HDAC1HDAC6SMN1; SMN2NPC1RAB9A

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-0726893-A1 NOVEL 4-PIPERIDINYL SUBSTITUTED LACTAMES AS NEUROKININ 2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ASTHMA ZENECA LIMITED (GB) 1996-08-21 EP disclosed
US-5534525-A Lactam derivatives ZENECA LIMITED (GB) 1996-07-09 US disclosed