SCHEMBL4626104

SCHEMBL4626104

c1ccc(Oc2ccc(CCN3CCN(CC4CCCCC4)CC3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.49
▸ MMP9 P14780 2/20 0.49
▸ HRH3 Q9Y5N1 2/20 0.49
▸ SIGMAR1 Q99720 3/20 0.49
▸ KCNH2 Q12809 2/20 0.47
▸ CCR3 P51677 1/20 0.47

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
SCHEMBL27724385 0.79 CCR5 (0.53) MMP2MMP9HRH3
SCHEMBL31709003 0.75 CHRM3 (0.55) SIGMAR1KCNH2
SCHEMBL31708843 0.75 CHRM3 (0.55) SIGMAR1KCNH2
Hydrochloric Acid SCHEMBL1449121 0.74 SMN1; SMN2 (0.59) —
SCHEMBL31709258 0.73 CHRM3 (0.56) SIGMAR1KCNH2
SCHEMBL11246294 0.72 ADRB1 (0.45) SIGMAR1
SCHEMBL8176746 0.72 SIGMAR1 (0.62) SIGMAR1CCR3
SCHEMBL7405795 0.71 SIGMAR1 (0.72) HRH3SIGMAR1KCNH2CCR3
SCHEMBL4624806 0.71 SLC6A2 (0.52) MMP2MMP9
SCHEMBL11574478 0.70 KCNA3 (0.58) SIGMAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687288-B1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE WYETH CORP (US) 2008-01-16 — — EP disclosed
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