SCHEMBL11442117

SCHEMBL11442117

CC(C)NNCC1C2CC3CC(C2)CC1C3

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.35
▸ CXCR3 P49682 1/20 0.35
▸ HSD11B1 P28845 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ SMN1; SMN2 Q16637 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 SCHEMBL11458087 0.98 EPHX2 (0.34) EPHX2CXCR3HSD11B1TDP1KMT2A
SCHEMBL11442979 0.78 EPHX2 (0.37) EPHX2CXCR3HSD11B1TDP1ALDH1A1
SCHEMBL11442077 0.76 CXCR3 (0.38) CXCR3HSD11B1
Hydrochloric Acid SCHEMBL11458089 0.74 CXCR3 (0.37) CXCR3HSD11B1LMNASMN1; SMN2
SCHEMBL11442309 0.72 HSD11B1 (0.41) EPHX2HSD11B1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL11449230 0.71 HSD11B1 (0.40) EPHX2HSD11B1KMT2ASMN1; SMN2
SCHEMBL11156387 0.70 HSD11B1 (0.40) EPHX2CXCR3HSD11B1ALDH1A1LMNA
SCHEMBL1420785 0.69 EPHX1 (0.38) EPHX2CXCR3HSD11B1TDP1
Hydrochloric Acid SCHEMBL11152826 0.68 HSD11B1 (0.39) EPHX2CXCR3HSD11B1ALDH1A1LMNA
SCHEMBL11442301 0.68 EPHX2 (0.39) EPHX2CXCR3HSD11B1LMNASMN1; SMN2

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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