SCHEMBL9677231

SCHEMBL9677231

COc1ccc(N2CC(CN3CCCCC3Cc3ccccc3)OC2=O)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.46
SIGMAR1 Q99720 3/20 0.45
MAPK1 P28482 1/20 0.41
MCHR1 Q99705 1/20 0.40
ATM Q13315 4/20 0.39
PIK3C3 Q8NEB9 4/20 0.39
ATR Q13535 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
PRKDC P78527 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL9844402 0.91 GRM2 (0.44) GRM2SIGMAR1MAPK1MCHR1HTR2A
SCHEMBL9678769 0.88 GRM2 (0.55) GRM2SIGMAR1ATM
SCHEMBL9678414 0.88 SIGMAR1 (0.55) GRM2SIGMAR1
SCHEMBL9678999 0.86 GRM2 (0.43) GRM2SIGMAR1SMN1; SMN2
SCHEMBL9677497 0.85 GRM2 (0.63) GRM2SIGMAR1ATMPIK3C3ATR
SCHEMBL9678594 0.84 MAOA (0.54) GRM2ATMPIK3C3ATRPRKDC
SCHEMBL9677627 0.83 GRM2 (0.54) GRM2SIGMAR1ATMPIK3C3ATR
SCHEMBL9678678 0.83 GRM2 (0.54) GRM2SIGMAR1ATMPIK3C3ATR
SCHEMBL9678951 0.82 SIGMAR1 (0.54) GRM2SIGMAR1
SCHEMBL9676125 0.82 SIGMAR1 (0.51) GRM2SIGMAR1HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0300272-B1 OXAZOLIDINONES MERCK PATENT GmbH (DE) 1992-09-16 EP disclosed
US-4970217-A NEUROLEPTIC MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-11-13 US disclosed
EP-0300272-A1 Oxazolidinones MERCK PATENT GmbH (DE) 1989-01-25 EP disclosed