SCHEMBL2598877

SCHEMBL2598877

O=C(O)N1CC2CCOc3ccc(-c4ccccc4)cc3[C@H]2C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.40
DRD2 P14416 4/20 0.38
DRD3 P35462 4/20 0.38
HTR2B P41595 2/20 0.37
TMEM97 Q5BJF2 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
HTR7 P34969 1/20 0.37
PIK3CA P42336 1/20 0.37
KDM4C Q9H3R0 3/20 0.36
HTR1A P08908 1/20 0.36
CHRNA4 P43681 1/20 0.36
GPR142 Q7Z601 2/20 0.35
DGAT1 O75907 2/20 0.35
SOAT2 O75908 1/20 0.35

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
SCHEMBL1802426 1.00 USP30 (0.40) USP30DRD2DRD3HTR2BTMEM97
SCHEMBL1802430 1.00 USP30 (0.40) USP30DRD2DRD3HTR2BTMEM97
SCHEMBL1802427 1.00 USP30 (0.40) USP30DRD2DRD3HTR2BTMEM97
SCHEMBL860734 0.85 DRD2 (0.43) DRD2DRD3HTR2B
SCHEMBL860735 0.85 DRD2 (0.43) DRD2DRD3HTR2B
SCHEMBL860736 0.85 DRD2 (0.43) DRD2DRD3HTR2B
SCHEMBL1806683 0.83 DRD2 (0.46) DRD2DRD3KDM4C
SCHEMBL1806680 0.83 DRD2 (0.46) DRD2DRD3KDM4C
SCHEMBL1808571 0.83 DRD2 (0.46) DRD2DRD3HTR2BKDM4CHTR1A
SCHEMBL2599058 0.83 DRD2 (0.46) DRD2DRD3KDM4C

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