SCHEMBL11152580

SCHEMBL11152580

c1ccc(CN2CCN(NC3C4CC5CC(C4)CC3C5)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 2/20 0.64
▸ SIGMAR1 Q99720 3/20 0.53
▸ MC4R P32245 1/20 0.46
▸ HSD11B1 P28845 2/20 0.46
▸ DRD4 P21917 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ACHE P22303 2/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ CHRM4 P08173 1/20 0.44
▸ CHRM5 P08912 1/20 0.44
▸ EPHX2 P34913 2/20 0.44
▸ BCHE P06276 1/20 0.43

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
Hydrochloric Acid SCHEMBL11156203 0.97 CXCR3 (0.61) CXCR3SIGMAR1MC4RHSD11B1DRD4
SCHEMBL1143256 0.78 SIGMAR1 (0.60) CXCR3SIGMAR1MC4RHSD11B1DRD4
SCHEMBL24628147 0.74 SIGMAR1 (0.58) CXCR3SIGMAR1MC4RHSD11B1DRD4
SCHEMBL12864588 0.74 CXCR3 (0.65) CXCR3SIGMAR1DRD4ALDH1A1ACHE
SCHEMBL2489199 0.73 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL1415730 0.73 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL1041303 0.73 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL8188324 0.73 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL242970 0.73 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL576868 0.73 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0002066-B1 2-ADAMANTYL HYDRAZINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Teva Pharmaceutical Industries Limited (IL) 1983-05-25 — — EP claimed
EP-0002066-A1 2-Adamantyl hydrazines and pharmaceutical compositions containing them Teva Pharmaceutical Industries Limited (IL) 1979-05-30 — — EP claimed
EP-0002066-B1 2-ADAMANTYL HYDRAZINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Teva Pharmaceutical Industries Limited (IL) 1983-05-25 — — EP disclosed
US-4254128-A 2-Adamantyl hydrazines and biocidal compositions thereof TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1981-03-03 — — US disclosed
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