SCHEMBL11440486

SCHEMBL11440486

O=C(O)CNNCC1C2CC3CC(C2)CC1C3

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 4/20 0.55
▸ ALDH1A1 P00352 1/20 0.37
▸ P2RX7 Q99572 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ FAP Q12884 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ EPHX2 P34913 4/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ CXCR3 P49682 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL11149112 0.78 HSD11B1 (0.47) HSD11B1ALDH1A1EPHX2L3MBTL1HSD17B10
Hydrochloric Acid SCHEMBL11154979 0.76 HSD11B1 (0.45) HSD11B1ALDH1A1EPHX2L3MBTL1HSD17B10
SCHEMBL11076676 0.75 HSD11B1 (0.54) HSD11B1P2RX7EPHX2L3MBTL1CXCR3
SCHEMBL158815 0.75 HSD11B1 (0.54) HSD11B1DPP4FAPDPP7EPHX2
Hydrochloric Acid SCHEMBL27500985 0.73 HSD11B1 (0.52) HSD11B1DPP4FAPDPP7EPHX2
SCHEMBL11156387 0.72 HSD11B1 (0.40) HSD11B1ALDH1A1EPHX2L3MBTL1CXCR3
SCHEMBL1787432 0.72 HSD11B1 (1.00) HSD11B1P2RX7EPHX2L3MBTL1HSD17B10
Hydrochloric Acid SCHEMBL11152826 0.71 HSD11B1 (0.39) HSD11B1ALDH1A1EPHX2L3MBTL1CXCR3
SCHEMBL11442309 0.71 HSD11B1 (0.41) HSD11B1P2RX7EPHX2L3MBTL1
SCHEMBL11442077 0.70 CXCR3 (0.38) HSD11B1L3MBTL1CXCR3

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 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
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