SCHEMBL9026935

SCHEMBL9026935

COc1ccc(CCCCN2CCN(c3ccccc3OC)CC2)cc1C(N)c1cc2ccccc2o1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.58
DRD2 P14416 6/20 0.58
DRD3 P35462 3/20 0.58
HTR2C P28335 3/20 0.58
HTR2B P41595 3/20 0.58
DRD4 P21917 2/20 0.58
DRD1 P21728 1/20 0.58
ADRA1D P25100 1/20 0.58
HTR2A P28223 1/20 0.58
ADRA1A P35348 1/20 0.58
ADRA1B P35368 1/20 0.58
HTR7 P34969 4/20 0.49
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48

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
SCHEMBL9026950 0.83 HTR1A (0.51) HTR1ADRD2DRD3HTR2CDRD4
SCHEMBL9026121 0.74 HRH3 (0.51) DRD2DRD3SLC6A2SLC6A4
SCHEMBL9161589 0.73 HTR1A (0.70) HTR1ADRD2HTR2CHTR2AHTR7
SCHEMBL10733089 0.73 ADRA1D (0.84) HTR1ADRD2DRD3HTR2CADRA1D
SCHEMBL10864396 0.72 HTR1A (0.60) HTR1ADRD2DRD3HTR2CHTR7
SCHEMBL6357014 0.72 DRD3 (0.94) HTR1ADRD2DRD3HTR2CHTR2B
Hydrochloric Acid SCHEMBL10865028 0.72 HTR1A (0.59) HTR1ADRD2DRD3HTR2CHTR7
Hydrochloric Acid SCHEMBL9082274 0.71 DRD3 (0.93) HTR1ADRD2DRD3HTR2CHTR2B
SCHEMBL10864794 0.71 MEN1 (0.59) HTR1ADRD2HTR2CHTR7
SCHEMBL5439597 0.70 ADRA1D (0.87) HTR1ADRD2DRD3HTR2CADRA1D

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-0711290-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1996-05-15 EP disclosed
WO-1995004052-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1995-02-09 WO disclosed