SCHEMBL5328740

SCHEMBL5328740

[O]C1(c2ccccc2)CCCCC1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.42
MAOA P21397 6/20 0.42
MAOB P27338 6/20 0.42
AKR1C1 Q04828 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
SLC6A9 P48067 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL9295240 0.78 KDM1A (0.44) KDM1AMAOAMAOBSLC6A2SLC6A4
SCHEMBL31143852 0.76 KDM1A (0.43) KDM1AMAOAMAOB
SCHEMBL503776 0.75 KDM1A (0.42) KDM1AMAOAMAOBOPRM1SLC6A2
SCHEMBL6735371 0.75 KDM1A (0.42) KDM1AMAOAMAOBSLC6A2SLC6A4
SCHEMBL29209554 0.75 KDM1A (0.42) KDM1AMAOAMAOBSLC6A2SLC6A4
SCHEMBL2481698 0.75 KDM1A (0.59) KDM1AMAOAMAOB
SCHEMBL1248050 0.75 KDM1A (0.44) KDM1AMAOAMAOBSLC6A2SLC6A4
SCHEMBL1535881 0.75 SLC6A9 (0.43) KDM1AMAOAMAOBOPRM1SLC6A9
SCHEMBL8720460 0.75 KDM1A (0.42) KDM1AMAOAMAOBSLC6A9
SCHEMBL2791867 0.75 AKR1C1 (0.43) KDM1AMAOAMAOBAKR1C1SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4014231-B2 2007-11-28 JP claimed
JP-2002511060-A 2002-04-09 JP claimed
EP-1021452-A1 PROCESS FOR SYNTHESIZING PHOSPHODIESTERS Epix Medical, Inc. (US) 2000-07-26 EP claimed
WO-1998046612-A1 PROCESS FOR SYNTHESIZING PHOSPHODIESTERS EPIX MEDICAL, INC. (US) 1998-10-22 WO claimed