SCHEMBL7535239

SCHEMBL7535239

CN(C)CCOc1cccc(OCCN(C)C)n1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.77
HTR1B P28222 1/20 0.53
LTA4H P09960 2/20 0.52
HTR6 P50406 1/20 0.50
CHRNB2 P17787 2/20 0.49
CHRNA4 P43681 2/20 0.49
ALDH1A1 P00352 3/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
KDM4E B2RXH2 2/20 0.46
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL8403606 0.93 HTR7 (0.68) HTR7HTR1BLTA4HHTR6CHRNB2
SCHEMBL7529925 0.90 HTR7 (0.64) HTR7HTR1BALDH1A1KDM4E
SCHEMBL14294278 0.89 HTR7 (0.68) HTR7HTR1BLTA4HHTR6CHRNB2
SCHEMBL11578564 0.88 HTR7 (0.62) HTR7HTR1BALDH1A1KDM4ELMNA
SCHEMBL8404771 0.88 HTR7 (0.62) HTR7HTR1BLTA4HHTR6CHRNB2
SCHEMBL4903520 0.87 HTR7 (0.66) HTR7HTR1BLTA4HHTR6CHRNB2
SCHEMBL3384107 0.87 HTR7 (1.00) HTR7HTR1BLTA4HHTR6CHRNB2
SCHEMBL13005044 0.87 HTR7 (0.66) HTR7HTR1BLTA4HHTR6CHRNB2
SCHEMBL28402315 0.85 HTR7 (0.59) HTR7HTR1BLTA4HHTR6CHRNB2
SCHEMBL14269842 0.84 HTR7 (0.67) HTR7HTR1BLTA4HHTR6CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4090988-A Polyurethane foam preparation using pyridine ether catalysts OLIN CORPORATION (US) 1978-05-23 US claimed
US-20020056675-A1 Gas vent filter construction incorporating a hollow fiber membrane assembly MILLIPORE CORPORATION 2002-05-16 US disclosed
WO-2002018037-A2 GAS VENT FILTER CONSTRUCTION INCORPORATING A HOLLOW FIBER MEMBRANE ASSEMBLY MILLIPORE CORPORATION (US) 2002-03-07 WO disclosed
US-4369605-A Methods for preparing tube sheets for permeators having hollow fiber membranes MONSANTO COMPANY (US) 1983-01-25 US disclosed
US-4323454-A CURED EPOXY RESIN, FILLER, HOLLOW FIBERS MONSANTO COMPANY (US) 1982-04-06 US disclosed
EP-0044193-A1 Methods for preparing tube sheets for permeators having hollow fiber membranes MONSANTO COMPANY (US) 1982-01-20 EP disclosed
US-4090988-A Polyurethane foam preparation using pyridine ether catalysts OLIN CORPORATION (US) 1978-05-23 US disclosed
US-4048107-A Polyurethane foam preparation using amio acetal catalyst OLIN CORPORATION (US) 1977-09-13 US disclosed