SCHEMBL10839151

SCHEMBL10839151

Cc1ccc(NCC2CCCN2)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
MAPT P10636 1/20 0.42
HTR6 P50406 1/20 0.42
SYK P43405 3/20 0.41
KCNH2 Q12809 3/20 0.41
MAPK3 P27361 1/20 0.41
MAPK1 P28482 1/20 0.41
AURKB Q96GD4 1/20 0.41
IL1B P01584 1/20 0.40
PRKCI P41743 2/20 0.39
IDO1 P14902 2/20 0.39
TDO2 P48775 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
EHMT2 Q96KQ7 1/20 0.38

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
SCHEMBL4468927 0.83 LTA4H (0.44) LTA4HHTR6PRKCIIDO1TDO2
SCHEMBL4485187 0.83 FPR3 (0.49) LTA4HHTR6PRKCIIDO1TDO2
SCHEMBL1116569 0.83 LTA4H (0.52) LTA4HHTR6CHRNB2CHRNA4CHRNB4
SCHEMBL3329262 0.83 LTA4H (0.52) LTA4HHTR6CHRNB2CHRNA4CHRNB4
SCHEMBL1116568 0.83 LTA4H (0.52) LTA4HHTR6CHRNB2CHRNA4CHRNB4
SCHEMBL14416942 0.81 PRKCI (0.51) LTA4HPRKCIIDO1TDO2CHRNB4
SCHEMBL14416943 0.81 PRKCI (0.51) LTA4HPRKCIIDO1TDO2CHRNB4
SCHEMBL14409567 0.81 PRKCI (0.51) LTA4HPRKCIIDO1TDO2CHRNB4
SCHEMBL4654443 0.81 LTA4H (0.51) LTA4HHTR6CHRNB2CHRNA4CHRNB4
SCHEMBL1751545 0.81 LTA4H (0.51) LTA4HHTR6CHRNB2CHRNA4CHRNB4

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-4337346-A CONDENSATION OF A GLYOXAL WITH AN N-SUBSTITUTED AMINOMETHYLPYRROLIDINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-06-29 US claimed
US-4584387-A INTERMEDIATES FOR ALPHA-HYDROXY ALDEHYDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-04-22 US disclosed
EP-0050351-B1 OPTICALLY ACTIVE OR RACEMIC ALPHA-HYDROXYALDEHYDES AND BENZYL DERIVATIVES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-03-27 EP disclosed
US-4383122-A HYDROCARBOYL-1,3-DIAZABICYCLO(3.3.0)OCTANE, GRIGNARD REAGENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-05-10 US disclosed
EP-0011417-B1 OPTICALLY ACTIVE OR RACEMIC AMINAL DERIVATIVES, PROCESS FOR PREPARING SAME AND FOR CONVERTING SAME TO ALPHA-HYDROXYALDEHYDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-05-04 EP disclosed
US-4337346-A CONDENSATION OF A GLYOXAL WITH AN N-SUBSTITUTED AMINOMETHYLPYRROLIDINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-06-29 US disclosed
EP-0048501-A1 Optically active or racemic diazabicyclooctane derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-03-31 EP disclosed
EP-0011417-A1 Optically active or racemic aminal derivatives, process for preparing same and for converting same to alpha-hydroxyaldehydes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-05-28 EP disclosed