SCHEMBL9020428

SCHEMBL9020428

CN1C2CCCC1(c1n[nH]c3cc(F)ccc13)CC2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.40
MAP2K4 P45985 15/20 0.37
MAP2K7 O14733 2/20 0.35
FGFR1 P11362 1/20 0.35
FLT1 P17948 1/20 0.35
KDR P35968 1/20 0.35
RBP4 P02753 1/20 0.35
MAPK1 P28482 2/20 0.34
MAPK6 Q16659 2/20 0.34
MAPKAPK2 P49137 1/20 0.34
MAPKAPK3 Q16644 1/20 0.34
ITK Q08881 1/20 0.33

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
SCHEMBL9020233 0.83 RAB9A (0.38) HTR2A
SCHEMBL5971560 0.72 SLC6A4 (0.35)
SCHEMBL8210476 0.65 HTR2A (0.43) HTR2AMAP2K4MAP2K7
SCHEMBL7121073 0.65 OPRL1 (0.35)
SCHEMBL10395740 0.64 HTR2A (0.50) HTR2AMAP2K4RBP4
SCHEMBL7898112 0.64 OPRK1 (0.31)
SCHEMBL633353 0.63 SLC6A2 (0.43)
SCHEMBL29435414 0.63 HTR6 (0.40)
SCHEMBL7968110 0.63 HTR6 (0.40)
SCHEMBL7973508 0.63 HRH3 (0.38) KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0498331-B1 N-(aryloxyalkyl)heteroaryl-8-azabicyclo(3.2.1)octanes, intermediates and a process for the preparation thereof and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1996-05-22 EP disclosed
EP-0498331-A1 N-(aryloxyalkyl)heteroaryl-8-azabicyclo(3.2.1)octanes, intermediates and a process for the preparation thereof and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-08-12 EP disclosed