SCHEMBL9302201

SCHEMBL9302201

O=P(O)(O)C(N1CCCC2(CCCCC2)C1)P(=O)(O)O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.59
GRM5 P41594 4/20 0.38
CYP3A4 P08684 8/20 0.35
CYP2D6 P10635 7/20 0.35
USP2 O75604 7/20 0.35
CYP2C9 P11712 6/20 0.35
CYP2C19 P33261 6/20 0.35
TSHR P16473 6/20 0.35
CYP1A2 P05177 5/20 0.35
TP53 P04637 2/20 0.33
ALOX15 P16050 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 2/20 0.33
ANPEP P15144 1/20 0.31
ERAP2 Q6P179 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
SCHEMBL9300273 0.96 FDPS (0.64) FDPSGRM5CYP3A4CYP2D6USP2
SCHEMBL9301193 0.93 FDPS (0.53) FDPSGRM5CYP3A4CYP2D6USP2
SCHEMBL9300041 0.86 FDPS (0.54) FDPSGRM5CYP2C19TSHR
SCHEMBL9300487 0.81 FDPS (0.63) FDPSCYP2C19TSHRANPEPERAP2
SCHEMBL9301139 0.79 FDPS (0.43) FDPSCYP3A4CYP2D6USP2CYP2C9
SCHEMBL9301543 0.79 FDPS (0.59) FDPSCYP2C19TSHR
SCHEMBL9300465 0.78 FDPS (0.53) FDPSCYP3A4CYP2D6USP2CYP2C9
SCHEMBL2472093 0.75 FDPS (1.00) FDPSTSHRMEN1ALDH1A1KMT2A
N-(Hexamethyleneimino)Methylenebisphosphonic Acid SCHEMBL12309768 0.75 FDPS (1.00) FDPSTSHRMEN1ALDH1A1KMT2A
SCHEMBL9301972 0.73 FDPS (0.39) FDPS

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-5350743-A Treatment of osteoporosis KAKEN PHARMACEUTICAL CO., LTD. (JP) 1994-09-27 US disclosed
EP-0498424-A1 Bisphosphonic acid derivatives and bone resorption inhibitors containing them Kaken Pharmaceutical Co., Ltd. (JP) 1992-08-12 EP disclosed