SCHEMBL6574866

SCHEMBL6574866

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)Cc1cccc(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.44
MAPT P10636 3/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
ACHE P22303 3/20 0.44
KCNH2 Q12809 4/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.40
MCHR1 Q99705 1/20 0.39
DRD2 P14416 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
TP53 P04637 1/20 0.38
ICMT O60725 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL1472901 1.00 BCHE (0.44) BCHEMAPTESR1ESR2ACHE
SCHEMBL1836537 1.00 BCHE (0.44) BCHEMAPTESR1ESR2ACHE
SCHEMBL9579609 1.00 BCHE (0.44) BCHEMAPTESR1ESR2ACHE
Hydrochloric Acid SCHEMBL6894361 0.98 MAPT (0.46) BCHEMAPTESR1ESR2ACHE
Water SCHEMBL6839087 0.98 BCHE (0.43) BCHEMAPTESR1ESR2ACHE
Hydrochloric Acid SCHEMBL6892141 0.98 MAPT (0.46) BCHEMAPTESR1ESR2ACHE
Water SCHEMBL6840837 0.98 BCHE (0.43) BCHEMAPTESR1ESR2ACHE
Hydrochloric Acid SCHEMBL4137773 0.98 MAPT (0.46) BCHEMAPTESR1ESR2ACHE
Hydrochloric Acid SCHEMBL6894428 0.98 MAPT (0.46) BCHEMAPTESR1ESR2ACHE
Hydrochloric Acid SCHEMBL3131665 0.98 MAPT (0.46) BCHEMAPTESR1ESR2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0764676-B1 Method of preparing polycarbonate-polysiloxane block copolymers GEN ELECTRIC (US) 2004-04-28 EP claimed
EP-0238413-B1 A TREATING PROCESS FOR WOOD PRESERVATION AND A WOOD PRESERVATIVE FOR THE PROCESS KATAYAMA CHEMICAL WORKS LTD. (JP) 1990-08-16 EP claimed
EP-3987086-A1 METHOD FOR PREPARING HIGH-CONCENTRATION PENTA-TWINNED GOLD NANOPARTICLES Université Claude Bernard Lyon 1 (FR) 2022-04-27 EP disclosed
EP-2780710-A2 METAL/SILICA CORE/SHELL NANOPARTICLES, MANUFACTURING PROCESS AND IMMUNOCHROMATOGRAPHIC TEST DEVICE COMPRISING SUCH NANOPARTICLES Metalor Technologies International S.A. (CH) 2014-09-24 EP disclosed
WO-2013072213-A2 METAL/SILICA CORE/SHELL NANOPARTICLES, MANUFACTURING PROCESS AND IMMUNOCHROMATOGRAPHIC TEST DEVICE COMPRISING SUCH NANOPARTICLES METALOR TECHNOLOGIES INTERNATIONAL SA (CH) 2013-05-23 WO disclosed