SCHEMBL10749846

SCHEMBL10749846

O=C(NCCCCCCN1CCN(CCCCCCNC(=O)c2ccccc2)CC1)c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.72
DRD4 P21917 4/20 0.72
CCR3 P51677 1/20 0.70
DRD3 P35462 8/20 0.69
HTR1A P08908 4/20 0.69
HTR2A P28223 4/20 0.69
HTR2C P28335 1/20 0.69
KDM4E B2RXH2 1/20 0.68
ALDH1A1 P00352 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
HTR7 P34969 1/20 0.65
HTR6 P50406 1/20 0.65

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
SCHEMBL10720274 1.00 DRD2 (0.72) DRD2DRD4CCR3DRD3HTR1A
SCHEMBL10723885 1.00 DRD2 (0.72) DRD2DRD4CCR3DRD3HTR1A
SCHEMBL10720221 1.00 DRD2 (0.72) DRD2DRD4CCR3DRD3HTR1A
SCHEMBL10723842 1.00 DRD2 (0.72) DRD2DRD4CCR3DRD3HTR1A
SCHEMBL7132544 0.98 DRD2 (0.74) DRD2DRD4CCR3DRD3HTR1A
SCHEMBL10723691 0.97 ALDH1A1 (0.72) DRD2DRD4CCR3DRD3HTR1A
SCHEMBL10720845 0.94 ALDH1A1 (0.76) DRD2DRD4CCR3DRD3HTR1A
SCHEMBL10723851 0.92 SIGMAR1 (0.64) DRD2DRD4CCR3DRD3HTR1A
SCHEMBL7391346 0.91 CCR3 (0.64) DRD2DRD4CCR3DRD3HTR1A
SCHEMBL7381097 0.91 CCR3 (0.64) DRD2DRD4CCR3DRD3HTR1A

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
US-4665410-A THERMOGRAPHY RICOH COMPANY, LTD. (JP) 1987-05-12 US disclosed
US-4613878-A DECOLORIZING AGENT COMPRISING AROMATIC DIAMIDE OR PIPERAZINE DERIVATIVE, HAVING TWO ACYLAMINO GROUPS RICOH COMPANY, LTD. (JP) 1986-09-23 US disclosed