SCHEMBL3476495

SCHEMBL3476495

CCC(=O)Nc1cccc(-c2ccc3nnc(C)n3n2)c1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.71
RECQL P46063 2/20 0.71
KMT2A Q03164 2/20 0.71
POLB P06746 1/20 0.71
SMN1; SMN2 Q16637 7/20 0.68
MAPT P10636 2/20 0.64
KDM4E B2RXH2 5/20 0.64
ALDH1A1 P00352 2/20 0.63
BRD4 O60885 1/20 0.56
LIN28A Q9H9Z2 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
LMNA P02545 1/20 0.55
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53

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
SCHEMBL10389605 0.91 MEN1 (0.69) MEN1RECQLKMT2APOLBSMN1; SMN2
SCHEMBL10389277 0.88 SMN1; SMN2 (0.71) MEN1RECQLKMT2APOLBSMN1; SMN2
SCHEMBL3476408 0.87 SMN1; SMN2 (0.73) MEN1RECQLKMT2APOLBSMN1; SMN2
SCHEMBL10770076 0.87 MEN1 (0.56) MEN1RECQLKMT2APOLBSMN1; SMN2
SCHEMBL4314117 0.87 MEN1 (0.56) MEN1RECQLKMT2APOLBSMN1; SMN2
SCHEMBL10767950 0.86 MAPT (0.69) MEN1RECQLKMT2APOLBSMN1; SMN2
SCHEMBL10768749 0.86 MEN1 (0.55) MEN1RECQLKMT2APOLBSMN1; SMN2
SCHEMBL10389884 0.84 SMN1; SMN2 (0.64) MEN1RECQLKMT2APOLBSMN1; SMN2
SCHEMBL10694000 0.84 SMN1; SMN2 (0.66) MEN1RECQLKMT2APOLBSMN1; SMN2
SCHEMBL10389328 0.84 SMN1; SMN2 (0.66) MEN1RECQLKMT2APOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010132286-A1 ORALLY ADMINISTERED TABLET FORMULATION OF AN ANTIANXIOLYTIC COMPOUND WYETH LLC (US) 2010-11-18 WO claimed
WO-2010132286-A1 ORALLY ADMINISTERED TABLET FORMULATION OF AN ANTIANXIOLYTIC COMPOUND WYETH LLC (US) 2010-11-18 WO disclosed
EP-1885367-A2 METHOD FOR THE TREATMENT OF NOISE PHOBIA IN COMPANION ANIMALS Wyeth (US) 2008-02-13 EP disclosed
WO-2006127574-A2 METHOD FOR THE TREATMENT OF NOISE PHOBIA IN COMPANION ANIMALS WYETH (US) 2006-11-30 WO disclosed
US-4892873-A MUSCLE RELAXANTS, ANTIEPILEPTIC, AN XIOLYTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1990-01-09 US disclosed
US-4767765-A ANXIOLYTIC OR ANTIEPILEPTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1988-08-30 US disclosed
EP-0225272-A1 1-Methyl-15-alpha-alkyl-androsta-1,4-diene-3,17-diones, process for their preparation and pharmaceutical compositions containing them SCHERING AKTIENGESELLSCHAFT (DE) 1987-06-10 EP disclosed
EP-0223974-A1 N-Substituted-N-[3-(1,2,4-triazolo[4,3-b]pyridazin-6-yl)-phenyl]alkanamides, carbamates and ureas AMERICAN CYANAMID COMPANY (US) 1987-06-03 EP disclosed
US-4654343-A USEFUL AS ANXIOLYTIC OR ANTIEPILEPTIC AGENTS AS WELL AS SEDATIVE-HYPNOTIC AND SKELETAL MUSCLE RELAXANT AGENTS AMERICAN CYANAMID COMPANY (US) 1987-03-31 US disclosed