SCHEMBL6156956

SCHEMBL6156956

NC1CCC(N)CC1.NCC1CCCC(CN)C1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.33
CYP2D6 P10635 1/20 0.32
NCF1 P14598 1/20 0.32
SIGMAR1 Q99720 1/20 0.30
PLG P00747 1/20 0.30
PLAT P00750 1/20 0.30
LMNA P02545 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
SCHEMBL467954 0.89 EPHX2 (0.39) EPHX2CYP2D6NCF1SIGMAR1PLG
SCHEMBL1703647 0.89 EPHX2 (0.39) EPHX2CYP2D6NCF1SIGMAR1PLG
SCHEMBL26661 0.89 EPHX2 (0.39) EPHX2CYP2D6NCF1SIGMAR1PLG
SCHEMBL1703645 0.89 EPHX2 (0.39) EPHX2CYP2D6NCF1SIGMAR1PLG
SCHEMBL7135021 0.89 EPHX2 (0.39) EPHX2CYP2D6NCF1SIGMAR1PLG
Hydrochloric Acid SCHEMBL25223266 0.86 EPHX2 (0.37) EPHX2CYP2D6NCF1SIGMAR1PLG
Ammonia Solution, Strong SCHEMBL9620353 0.86 EPHX2 (0.37) EPHX2CYP2D6NCF1SIGMAR1PLG
Ammonia Solution, Strong SCHEMBL20562887 0.86 EPHX2 (0.37) EPHX2CYP2D6NCF1SIGMAR1PLG
Hydrochloric Acid SCHEMBL9438734 0.86 EPHX2 (0.37) EPHX2CYP2D6NCF1SIGMAR1PLG
SCHEMBL19101429 0.84 ALOX5 (0.32)

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
EP-1566372-B1 METHOD OF HYDROGENATION REACTION NEW JAPAN CHEM CO LTD (JP) 2018-01-10 EP disclosed
EP-1566372-A1 METHOD OF HYDROGENATION REACTION NEW JAPAN CHEMICAL CO.,LTD. (JP) 2005-08-24 EP disclosed