SCHEMBL9228403

SCHEMBL9228403

COc1cccc2c1C[C@H]1NCCO[C@@H]1C2

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.58
DRD2 P14416 3/20 0.43
DRD3 P35462 3/20 0.43
REN P00797 1/20 0.42
CHRM2 P08172 3/20 0.42
CHRM1 P11229 3/20 0.42
CHRM3 P20309 3/20 0.42
DRD4 P21917 2/20 0.41
HSD11B1 P28845 1/20 0.40
CYP19A1 P11511 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
SCHEMBL10758343 1.00 HTR1A (0.58) HTR1ADRD2DRD3RENCHRM2
SCHEMBL8732011 1.00 HTR1A (0.58) HTR1ADRD2DRD3RENCHRM2
SCHEMBL1361879 0.95 HTR1A (0.61) HTR1ADRD2DRD3RENCHRM2
SCHEMBL1361883 0.95 HTR1A (0.61) HTR1ADRD2DRD3RENCHRM2
SCHEMBL1361881 0.95 HTR1A (0.61) HTR1ADRD2DRD3RENCHRM2
SCHEMBL1559925 0.95 HTR1A (0.61) HTR1ADRD2DRD3RENCHRM2
SCHEMBL8363248 0.95 HTR1A (0.61) HTR1ADRD2DRD3RENCHRM2
Hydrochloric Acid SCHEMBL1558407 0.93 HTR1A (0.60) HTR1ADRD2DRD3RENCHRM2
Hydrochloric Acid SCHEMBL1361251 0.93 HTR1A (0.60) HTR1ADRD2DRD3RENCHRM2
Hydrochloric Acid SCHEMBL1362123 0.93 HTR1A (0.60) HTR1ADRD2DRD3RENCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641787-A1 2H-naphth[2,3-b]-1,4-oxazine derivatives, their preparation and their use as serotonin 1D (5-HT10) receptor agonists SANDOZ LTD. (CH) 1995-03-08 EP disclosed
US-4656167-A Naphthoxazines and their use as psychostimulating and antidepressant agents SANDOZ LTD. (CH) 1987-04-07 US disclosed