SCHEMBL11442301

SCHEMBL11442301

CCCCNNCC1C2CC3CC(C2)CC1C3

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 5/20 0.39
▸ CXCR3 P49682 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ FUCA1 P04066 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD11B1 P28845 1/20 0.31
▸ CNR2 P34972 1/20 0.30

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 SCHEMBL11458027 0.98 EPHX2 (0.38) EPHX2CXCR3L3MBTL1NPSR1FUCA1
SCHEMBL11156708 0.74 EPHX2 (0.47) EPHX2L3MBTL1NPSR1LMNASMN1; SMN2
SCHEMBL17352418 0.74 LMNA (0.55) EPHX2L3MBTL1NPSR1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL11153601 0.73 EPHX2 (0.46) EPHX2L3MBTL1NPSR1LMNASMN1; SMN2
SCHEMBL11442077 0.73 CXCR3 (0.38) CXCR3L3MBTL1HSD11B1
Hydrochloric Acid SCHEMBL11458089 0.71 CXCR3 (0.37) CXCR3LMNASMN1; SMN2HSD11B1
SCHEMBL191696 0.70 HSD11B1 (0.38) EPHX2L3MBTL1NPSR1HSD11B1
SCHEMBL190682 0.69 HSD11B1 (0.41) EPHX2CXCR3L3MBTL1NPSR1HSD11B1
SCHEMBL7099148 0.69 EPHX2 (0.41) EPHX2L3MBTL1NPSR1HSD11B1
SCHEMBL11442117 0.68 EPHX2 (0.35) EPHX2CXCR3LMNASMN1; SMN2HSD11B1

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
US-4202892-A FUNGICIDES, VIRICIDES, ANTIPROTOZOA AGENTS, PARKINSON'S DISEASE TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1980-05-13 — — US claimed
EP-0002065-A1 Methyladamantyl hydrazines, their pharmaceutically acceptable salts and pharmaceutical compositions containing them Teva Pharmaceutical Industries Limited (IL) 1979-05-30 — — EP claimed
US-4202892-A FUNGICIDES, VIRICIDES, ANTIPROTOZOA AGENTS, PARKINSON'S DISEASE TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1980-05-13 — — US disclosed
EP-0002065-A1 Methyladamantyl hydrazines, their pharmaceutically acceptable salts and pharmaceutical compositions containing them Teva Pharmaceutical Industries Limited (IL) 1979-05-30 — — EP disclosed
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