SCHEMBL8660747

SCHEMBL8660747

C=CCC(C#N)(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
DRD2 P14416 2/20 0.50
DRD4 P21917 2/20 0.50
OPRM1 P35372 2/20 0.50
DRD3 P35462 2/20 0.50
CYP2D6 P10635 2/20 0.50
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.46
KCNA3 P22001 6/20 0.45
CHRM3 P20309 6/20 0.44
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CHRM2 P08172 4/20 0.41
CHRM1 P11229 4/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL5495026 0.82 ATM (0.55) ATMDRD2DRD4OPRM1DRD3
SCHEMBL5857455 0.80 ATM (0.57) ATMDRD2DRD4OPRM1DRD3
SCHEMBL1508107 0.80 ATM (0.37) ATMDRD2DRD4OPRM1DRD3
SCHEMBL10624241 0.79 ALDH1A1 (0.48) ATMDRD2DRD4OPRM1DRD3
SCHEMBL10796236 0.78 ATM (0.55) ATMDRD2DRD4OPRM1DRD3
SCHEMBL1508046 0.78 KCNN4 (0.41) ATMDRD2DRD4OPRM1DRD3
SCHEMBL6258542 0.78 DRD2 (0.68) ATMDRD2DRD4OPRM1DRD3
SCHEMBL5779039 0.76 ALDH1A1 (0.46) ATMDRD2DRD4OPRM1DRD3
SCHEMBL7345657 0.76 HTT (0.47) ATMDRD2DRD4OPRM1DRD3
SCHEMBL3979738 0.74 CYP2D6 (0.58) ATMDRD2DRD4OPRM1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0875762-A2 Immunogens for raising antibodies useful in methadone fluorescence polarization immunoassay Abbott Laboratories (US) 1998-11-04 EP disclosed
EP-0380019-B1 Methadone fluorescence polarization immunoassay ABBOTT LAB (US) 1995-11-08 EP disclosed
EP-0662613-A1 Immunogens for raising antibodies useful in methadone fluorescence polarization immunoassay ABBOTT LABORATORIES (US) 1995-07-12 EP disclosed
US-5073629-A Haptens attached to immunogenic carrier; quantitative analysis , drugs testing ABBOTT LABORATORIES (US) 1991-12-17 US disclosed
EP-0380019-A2 Methadone fluorescence polarization immunoassay ABBOTT LABORATORIES (US) 1990-08-01 EP disclosed
US-4548994-A IMMOBILIZATION ON AFFINITY RESIN THE UPJOHN COMPANY (US) 1985-10-22 US disclosed
EP-0057600-B1 AFFINITY RESINS AND THEIR USE IN ISOLATING BACTERIAL LUCIFERASE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1985-05-08 EP disclosed
US-4412001-A IMMOBILIZATION BY BINDING TO A LIGAND-SPACER-SUPPORT; WASHING; DESORPTION; PURIFICATION BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1983-10-25 US disclosed