SCHEMBL9176355

SCHEMBL9176355

CC(=O)N1CCC2CC(P(=O)(O)O)(P(=O)(O)O)CC2C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNB4 P30926 1/20 0.37
EPHX2 P34913 13/20 0.36
HSD11B1 P28845 1/20 0.35
EPHX1 P07099 5/20 0.35
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31

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
SCHEMBL879232 0.70 HSD11B1 (0.53) CHRNB2CHRNA3CHRNA4CHRNB4EPHX2
SCHEMBL18711711 0.70 HSD11B1 (0.53) CHRNB2CHRNA3CHRNA4CHRNB4EPHX2
SCHEMBL18478535 0.70 HSD11B1 (0.53) CHRNB2CHRNA3CHRNA4CHRNB4EPHX2
SCHEMBL18711710 0.70 HSD11B1 (0.53) CHRNB2CHRNA3CHRNA4CHRNB4EPHX2
SCHEMBL7797082 0.68 MMP2 (0.37)
SCHEMBL27905165 0.67 CHRNB2 (0.42) CHRNB2CHRNA3CHRNA4CHRNB4EPHX2
SCHEMBL14317238 0.66 EPHX2 (0.55) CHRNB2CHRNA3CHRNA4CHRNB4EPHX2
SCHEMBL21287989 0.65 CHRNB2 (0.40) CHRNB2CHRNA3CHRNA4CHRNB4EPHX2
SCHEMBL15218142 0.65 CHRNB2 (0.40) CHRNB2CHRNA3CHRNA4CHRNB4EPHX2
SCHEMBL1790270 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5393746-A Bone disorders P&G PHARMACEUTICALS, INC. (US) 1995-02-28 US disclosed
EP-0586521-A1 CALCIUM, TRACE MINERAL, VITAMIN D AND DRUG THERAPY COMBINATIONS THE PROCTER & GAMBLE COMPANY (US) 1994-03-16 EP disclosed
WO-1992021355-A1 CALCIUM, TRACE MINERAL, VITAMIN D AND DRUG THERAPY COMBINATIONS THE PROCTER & GAMBLE COMPANY (US) 1992-12-10 WO disclosed
US-5137880-A Treatment for osteoporosis, pagents disease arthritis NORWICH EATON PHARMACEUTICALS, INC. (US) 1992-08-11 US disclosed
EP-0273514-B1 NOVEL BICYCLIC DIPHOSPHONATE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS Norwich Eaton Pharmaceuticals, Inc. (US) 1990-12-12 EP disclosed
US-4868164-A OSTEOPOROSIS, ARTHRITIS NORWICH EATON PHARMACEUTICALS, INC. (US) 1989-09-19 US disclosed
EP-0273514-A1 Novel bicyclic diphosphonate compounds and pharmaceutical compositions Norwich Eaton Pharmaceuticals, Inc. (US) 1988-07-06 EP disclosed