SCHEMBL1440388

SCHEMBL1440388

Cc1cc2[nH]c(N3CCC(C(N)=O)CC3)nc2cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.54
▸ SLC6A9 P48067 1/20 0.51
▸ TRPV1 Q8NER1 1/20 0.49
▸ LMNA P02545 6/20 0.48
▸ TP53 P04637 3/20 0.47
▸ TRPC3 Q13507 1/20 0.46
▸ CYP3A4 P08684 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL1440776 0.89 MAPT (0.55) MAPTSLC6A9TRPV1LMNATP53
SCHEMBL1440170 0.85 MAPT (0.55) MAPTSLC6A9TRPV1LMNATP53
SCHEMBL1440241 0.84 MAPT (0.53) MAPTSLC6A9TRPV1LMNATP53
SCHEMBL1440323 0.83 MAPT (0.56) MAPTLMNATP53ALDH1A1
SCHEMBL12076349 0.83 MAPT (0.52) MAPTSLC6A9TRPV1LMNATP53
SCHEMBL1441710 0.80 TP53 (0.61) MAPTSLC6A9LMNATP53POLB
SCHEMBL1440354 0.80 MAPT (0.53) MAPTSLC6A9TRPV1LMNATP53
SCHEMBL1439972 0.79 SLC6A9 (0.51) MAPTSLC6A9LMNATP53TRPC3
SCHEMBL1439951 0.79 MAPT (0.52) MAPTTRPV1LMNATP53TRPC3
SCHEMBL1440309 0.79 MAPT (0.52) MAPTSLC6A9LMNATP53

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
WO-2011023812-A1 MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 (MPGES1) INHIBITORS NOVASAID AB (SE) 2011-03-03 — — WO disclosed
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