SCHEMBL9640702

SCHEMBL9640702

CC(C)(Cc1ccccc1)N1CCOC(c2cccc(Cl)c2)C1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.43
DRD3 P35462 4/20 0.40
CCR5 P51681 1/20 0.40
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
HTR2B P41595 1/20 0.38
DRD4 P21917 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
Hydrochloric Acid SCHEMBL9678921 0.99 CNR2 (0.42) CNR2DRD3CCR5CHRM2HTR1A
SCHEMBL9640630 0.83 DRD3 (0.44) CNR2DRD3CHRM2HTR1AHTR2B
Hydrochloric Acid SCHEMBL9640898 0.82 DRD3 (0.43) CNR2DRD3CHRM2HTR1AHTR2B
SCHEMBL9640392 0.78 MDM2 (0.42) CCR5
SCHEMBL9641992 0.72 CNR2 (0.45) CNR2DRD3CHRM2HTR1AHTR2B
SCHEMBL13093625 0.72 CNR2 (0.45) CNR2DRD3CHRM2HTR1AHTR2B
SCHEMBL12363949 0.72 CNR2 (0.45) CNR2DRD3CHRM2HTR1AHTR2B
SCHEMBL18997540 0.71 RIPK1 (0.48) DRD3CHRM2HTR1AHTR2B
Hydrochloric Acid SCHEMBL9641424 0.70 CNR2 (0.44) CNR2DRD3CHRM2HTR1AHTR2B
Hydrochloric Acid SCHEMBL9641578 0.69 DRD3 (0.65) CNR2DRD3CHRM2HTR1AHTR2B

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-0290122-B1 MORPHOLINE DERIVATIVES AND THEIR USE BEECHAM GROUP PLC (GB) 1992-12-23 EP claimed
US-5082840-A Animal growth regulators BEECHAM GROUP P.L.C. (GB) 1992-01-21 US claimed
EP-0290122-A1 Morpholine derivatives and their use BEECHAM GROUP PLC (GB) 1988-11-09 EP claimed