SCHEMBL9811433

SCHEMBL9811433

Cc1ccc(C2CCN(CCC(O)(P(=O)(O)O)P(=O)(O)O)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.46
DRD4 P21917 5/20 0.46
DRD3 P35462 4/20 0.46
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
SLC18A3 Q16572 3/20 0.41
MCHR1 Q99705 1/20 0.41
KCNA3 P22001 1/20 0.40
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL9811522 0.87 DRD2 (0.48) DRD2DRD3SLC18A3MCHR1
SCHEMBL6223991 0.87 DRD2 (0.57) DRD2DRD4DRD3MCHR1
SCHEMBL9298267 0.86 SLC18A3 (0.57) DRD2SLC18A3KCNA3SIGMAR1
SCHEMBL9811460 0.86 DRD2 (0.60) DRD2SIGMAR1
SCHEMBL9811461 0.84 HRH3 (0.46) DRD2SLC18A3KCNA3SIGMAR1
SCHEMBL6222615 0.81 DRD2 (0.49) DRD2DRD4DRD3
SCHEMBL9811498 0.80 ALDH1A1 (0.53) DRD2DRD4DRD3SLC18A3KCNA3
SCHEMBL9811419 0.80 CCR2 (0.40) DRD2SLC18A3KCNA3SIGMAR1
SCHEMBL6221175 0.79 SLC18A3 (0.55) DRD2SLC18A3KCNA3SIGMAR1
SCHEMBL9811477 0.78 FDPS (0.49) SLC18A3KCNA3

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-0272208-B1 AROMATICALLY SUBSTITUTED AZACYCLO-ALKYLALKANEDIPHOSPHONIC ACIDS CIBA-GEIGY AG (CH) 1991-06-12 EP claimed
EP-0272208-B1 AROMATICALLY SUBSTITUTED AZACYCLO-ALKYLALKANEDIPHOSPHONIC ACIDS CIBA-GEIGY AG (CH) 1991-06-12 EP disclosed
US-4871720-A Aromatically substituted azacycloalkyl-alkanediphosphonic acids useful for the treatment of illnesses that can be attributed to calcium metabolism disorders CIBA-GEIGY CORPORATION (US) 1989-10-03 US disclosed