SCHEMBL9811461

SCHEMBL9811461

O=P(O)(O)C(O)(CCN1CCC(c2ccncc2)CC1)P(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.46
FDPS P14324 2/20 0.43
PRCP P42785 3/20 0.43
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
SLC18A3 Q16572 1/20 0.41
KCNA3 P22001 1/20 0.40
ACHE P22303 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
DRD2 P14416 2/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL9298267 0.86 SLC18A3 (0.57) PRCPSLC18A3KCNA3SIGMAR1DRD2
SCHEMBL9811477 0.85 FDPS (0.49) FDPSSLC18A3KCNA3
SCHEMBL6223991 0.84 DRD2 (0.57) PRCPDRD2
SCHEMBL9811522 0.84 DRD2 (0.48) PRCPSLC18A3DRD2
SCHEMBL9811433 0.84 DRD2 (0.46) SLC18A3KCNA3SIGMAR1DRD2
SCHEMBL9811460 0.84 DRD2 (0.60) FDPSSIGMAR1DRD2
SCHEMBL9811498 0.80 ALDH1A1 (0.53) SLC18A3KCNA3SIGMAR1DRD2
SCHEMBL9811419 0.80 CCR2 (0.40) FDPSPRCPSLC18A3KCNA3SIGMAR1
SCHEMBL6221175 0.79 SLC18A3 (0.55) SLC18A3KCNA3SIGMAR1DRD2TP53
SCHEMBL9811541 0.79 DRD4 (0.50) FDPSDRD2

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 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
EP-0272208-A1 Aromatically substituted azacyclo-alkylalkanediphosphonic acids CIBA-GEIGY AG (CH) 1988-06-22 EP disclosed