SCHEMBL5683202

SCHEMBL5683202

CCn1cc(OC(=O)O)c(=O)c2cc(Cl)c(N3CCN(CCC(P(=O)(O)O)P(=O)(O)O)CC3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 1/20 0.42
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ GAA P10253 2/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ KDM4E B2RXH2 10/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ HPGD P15428 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CYP2J2 P51589 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GLA P06280 1/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ PIK3R1 P27986 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
SCHEMBL5681002 0.89 DRD3 (0.55) DRD3MEN1KMT2AGAARAD52
SCHEMBL6665776 0.86 DRD3 (0.42) DRD3MEN1KMT2AGAARAD52
SCHEMBL5679330 0.79 DRD3 (0.51) DRD3MEN1KMT2AGAARAD52
SCHEMBL5681491 0.78 ALDH1A1 (0.58) DRD3MEN1KMT2AGAARAD52
SCHEMBL5683667 0.76 KDM4E (0.56) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL7824016 0.75 DRD3 (0.63) DRD3MEN1KMT2AGAARAD52
SCHEMBL10862874 0.75 POLB (0.48) DRD3MEN1KMT2AGAAKDM4E
SCHEMBL11391209 0.74 DRD3 (0.62) DRD3MEN1KMT2AGAARAD52
SCHEMBL6669354 0.74 DRD3 (0.55) DRD3MEN1KMT2AGAARAD52
SCHEMBL11027094 0.74 DRD3 (0.64) DRD3MEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831869-B1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS IN (US) 2006-02-08 — — EP claimed
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