SCHEMBL3125848

SCHEMBL3125848

CCc1cc(CCc2cc(CC)c(N(C(C)C3CCCC3)C(C)C3CCCC3)c(CC)c2)cc(CC)c1N

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 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
SCHEMBL14574858 0.77 POLB (0.35) POLBHTT
SCHEMBL842010 0.72 HTT (0.50) POLBHTT
SCHEMBL11497456 0.68 HTT (0.47) POLBHTT
SCHEMBL3122740 0.68 POLB (0.35) POLBHTT
SCHEMBL2964693 0.67 DAPK3 (0.41)
SCHEMBL10816029 0.65 ALDH1A1 (0.51) POLBHTT
SCHEMBL14574904 0.64 POLB (0.32) POLBHTT
SCHEMBL31614612 0.62 DHFR (0.35) POLBHTT
SCHEMBL10940831 0.62 POLB (0.35) POLBHTT
SCHEMBL112571 0.62 HTT (0.52) POLBHTT

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-2143707-A2 Secondary diamine Albermarle Corporation (US) 2010-01-13 EP disclosed