SCHEMBL11442979

SCHEMBL11442979

CC(C)NCC1C2CC3CC(C2)CC1C3

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.37
▸ CXCR3 P49682 1/20 0.37
▸ HSD11B1 P28845 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ EPHX1 P07099 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
SCHEMBL1420785 0.81 EPHX1 (0.38) EPHX2CXCR3HSD11B1TDP1EPHX1
SCHEMBL11442117 0.78 EPHX2 (0.35) EPHX2CXCR3HSD11B1TDP1ALDH1A1
Hydrochloric Acid SCHEMBL11458087 0.77 EPHX2 (0.34) EPHX2CXCR3HSD11B1TDP1LMNA
SCHEMBL1420783 0.77 EPHX2 (0.46) EPHX2ALDH1A1
SCHEMBL11442077 0.70 CXCR3 (0.38) CXCR3HSD11B1
Ethane SCHEMBL11150903 0.70 CXCR3 (0.38) CXCR3HSD11B1
SCHEMBL11443007 0.70 CXCR3 (0.38) CXCR3HSD11B1
SCHEMBL24105897 0.70 HSD11B1 (0.42) EPHX2HSD11B1
SCHEMBL11442978 0.69 CXCR3 (0.40) EPHX2CXCR3HSD11B1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL11440592 0.68 CXCR3 (0.39) CXCR3HSD11B1LMNASMN1; 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 2 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 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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