SCHEMBL14419136

SCHEMBL14419136

CCCCCC(C)(C)c1ccc(N(c2ccc(CCCC)cc2)c2ccc(N(c3ccc(CCCC)cc3)c3ccc(C(C)(C)CCCCC)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.48
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
LPL P06858 4/20 0.41
LIPG Q9Y5X9 4/20 0.41
TRPV1 Q8NER1 1/20 0.40
MGLL Q99685 1/20 0.40
CNR1 P21554 1/20 0.40
TNNC1 P63316 2/20 0.40
SGPL1 O95470 1/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
GPR183 P32249 1/20 0.40
CERS2 Q96G23 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40

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
SCHEMBL14390805 1.00 CNR2 (0.48) CNR2CA1CA2LPLLIPG
SCHEMBL18531364 0.92 CA2 (0.41) CNR2CA1CA2LPLLIPG
SCHEMBL13354844 0.92 CA2 (0.41) CNR2CA1CA2LPLLIPG
SCHEMBL13425909 0.92 CA2 (0.43) CNR2CA1CA2LPLLIPG
SCHEMBL1128468 0.91 HTR2A (0.46) CNR2LPLLIPGCNR1TNNC1
SCHEMBL13434787 0.88 KCNH2 (0.47) CNR2CA1CA2LPLLIPG
SCHEMBL14228174 0.88 CNR2 (0.46) CNR2CA1CA2LPLLIPG
SCHEMBL13425901 0.84 CNR2 (0.43) CNR2CA1CA2
SCHEMBL2078826 0.83 CNR2 (0.50) CNR2CNR1
SCHEMBL12752951 0.83 KCNH2 (0.56) CA1CA2LPLLIPGTRPV1

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
US-20070210323-A1 Optical Device CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2007-09-13 US disclosed