SCHEMBL9678366

SCHEMBL9678366

O=C1OC(CN2CCC(Cc3ccccc3)CC2)CN1c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.67
SIGMAR1 Q99720 10/20 0.57
HTR1A P08908 6/20 0.57
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
TMEM97 Q5BJF2 1/20 0.49
CCR3 P51677 1/20 0.49

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
SCHEMBL7481896 0.93 GRM2 (0.58) GRM2SIGMAR1HTR1A
SCHEMBL7529065 0.92 GRM2 (0.57) GRM2SIGMAR1HTR1ASLC6A2SLC6A4
SCHEMBL9677541 0.92 GRM2 (0.57) GRM2SIGMAR1HTR1ATMEM97
SCHEMBL9676204 0.92 GRM2 (0.57) GRM2SIGMAR1HTR1A
SCHEMBL9677253 0.92 GRM2 (0.57) GRM2SIGMAR1HTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL9679291 0.91 GRM2 (0.56) GRM2SIGMAR1HTR1A
SCHEMBL9678862 0.89 MAOA (0.57) GRM2SIGMAR1HTR1ASLC6A2SLC6A4
SCHEMBL9678853 0.89 SIGMAR1 (0.65) GRM2SIGMAR1
Hydrochloric Acid SCHEMBL10389069 0.88 SIGMAR1 (0.64) GRM2SIGMAR1
SCHEMBL9844101 0.88 GRM2 (0.64) GRM2SIGMAR1SLC6A2SLC6A4CCR3

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