SCHEMBL2598185

SCHEMBL2598185

COC(=O)[C@@H]1CN(Cc2ccccc2)CC1c1cccc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.53
PRSS1 P07477 4/20 0.53
DRD2 P14416 2/20 0.52
DRD3 P35462 2/20 0.52
SIGMAR1 Q99720 2/20 0.51
CHRM4 P08173 1/20 0.49
FAAH O00519 1/20 0.49
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.48
GPR39 O43194 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL1804308 1.00 F10 (0.53) F10PRSS1DRD2DRD3SIGMAR1
SCHEMBL1804309 1.00 F10 (0.53) F10PRSS1DRD2DRD3SIGMAR1
SCHEMBL852326 0.91 DRD2 (0.54) F10DRD2DRD3SIGMAR1CHRM4
SCHEMBL12617166 0.90 S1PR5 (0.53) F10PRSS1FAAH
SCHEMBL14351264 0.89 F10 (0.49) F10PRSS1FAAH
SCHEMBL23951589 0.89 RORC (0.56) SIGMAR1CHRM4FAAHMAPT
SCHEMBL28932944 0.89 RORC (0.56) SIGMAR1CHRM4FAAHMAPT
SCHEMBL5110560 0.88 RORC (0.57) F10PRSS1CHRM4
SCHEMBL4661703 0.88 RORC (0.57) F10PRSS1CHRM4
SCHEMBL4661705 0.88 RORC (0.57) F10PRSS1CHRM4

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-2571353-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2013-03-27 EP disclosed
WO-2011146089-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-11-24 WO disclosed