SCHEMBL9678985

SCHEMBL9678985

O=C(c1ccccc1)C1CCN(CC2CN(c3ccc(Cl)cc3)C(=O)O2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.52
GRM2 Q14416 4/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MGLL Q99685 2/20 0.49
F10 P00742 4/20 0.46
LMNA P02545 1/20 0.45
HTR2A P28223 1/20 0.45
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
F2 P00734 1/20 0.44

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
SCHEMBL9677080 0.92 MEN1 (0.52) SIGMAR1GRM2MEN1KMT2AF10
SCHEMBL9844055 0.90 GRM2 (0.49) GRM2MEN1KMT2AMGLLF10
SCHEMBL9678371 0.90 SIGMAR1 (0.52) SIGMAR1LMNAHTR2A
SCHEMBL9677516 0.87 SIGMAR1 (0.66) SIGMAR1GRM2
SCHEMBL9678807 0.83 MAOA (0.58) SIGMAR1GRM2MEN1KMT2AMGLL
SCHEMBL9676115 0.82 SIGMAR1 (0.54) SIGMAR1HTR2AITGB3ITGA2B
SCHEMBL9844499 0.82 HTR2A (0.53) GRM2MEN1KMT2ALMNAHTR2A
SCHEMBL9678765 0.81 GRM2 (0.56) SIGMAR1GRM2MGLL
SCHEMBL7529065 0.81 GRM2 (0.57) SIGMAR1GRM2
SCHEMBL9677253 0.81 GRM2 (0.57) SIGMAR1GRM2

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