SCHEMBL11735201

SCHEMBL11735201

COc1ccc2c(c1)C(=O)C(C)(CN1CCC(O)(c3ccccc3)CC1)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.46
DRD3 P35462 1/20 0.46
SIGMAR1 Q99720 5/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
OPRM1 P35372 3/20 0.44
OPRD1 P41143 3/20 0.44
OPRK1 P41145 3/20 0.44
OPRL1 P41146 3/20 0.44
HSD11B1 P28845 1/20 0.41
SLC6A1 P30531 1/20 0.41
SLC6A12 P48065 1/20 0.41
SLC6A11 P48066 1/20 0.41
MAOB P27338 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL11736837 0.92 SMN1; SMN2 (0.47) DRD2DRD3SIGMAR1HTR2AHTR2C
SCHEMBL11735770 0.90 SIGMAR1 (0.47) DRD2DRD3SIGMAR1HTR2AHTR2C
SCHEMBL11739574 0.87 ALDH1A1 (0.49) DRD2DRD3SIGMAR1ALDH1A1MEN1
SCHEMBL11734904 0.87 OPRL1 (0.42) DRD2DRD3SIGMAR1MEN1KMT2A
SCHEMBL11733530 0.85 SIGMAR1 (0.47) DRD2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL11731880 0.82 SIGMAR1 (0.47) DRD2DRD3SIGMAR1HTR2AHTR2C
SCHEMBL11733344 0.80 SIGMAR1 (0.42) DRD2DRD3SIGMAR1ALDH1A1MEN1
SCHEMBL11737416 0.77 CYP19A1 (0.51) DRD2DRD3SIGMAR1
SCHEMBL11738992 0.77 DRD2 (0.50) DRD2DRD3SIGMAR1HTR2AHTR2C
SCHEMBL11736994 0.75 OPRL1 (0.49) DRD2DRD3SIGMAR1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4016281-A Tetralone and indanone compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-04-05 US disclosed