SCHEMBL6955903

SCHEMBL6955903

O=CNc1c(N2CCN(c3ccccc3)CC2)n[nH]c1-c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
MAPT P10636 6/20 0.39
HTR7 P34969 1/20 0.39
CNR1 P21554 1/20 0.39
DRD4 P21917 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
GFER P55789 1/20 0.37
SMO Q99835 1/20 0.36
LRRK2 Q5S007 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL6961353 0.86 MAPT (0.40) LMNAMAPTHTR7ALDH1A1KDM4E
SCHEMBL6961941 0.86 MAPT (0.42) LMNAMAPTHTR7ALDH1A1KDM4E
SCHEMBL6966395 0.84 FYN (0.43) LMNAMAPTHTR7ALDH1A1KDM4E
SCHEMBL6963927 0.81 ABCG2 (0.45) LMNAMAPTHTR7ALDH1A1GFER
SCHEMBL6967175 0.80 KDM4E (0.38) LMNAMAPTALDH1A1KDM4EGFER
SCHEMBL6966641 0.80 TP53 (0.41) LMNAMAPTHTR7ALDH1A1KDM4E
SCHEMBL6956776 0.77 MAP4K1 (0.42) LMNAMAPTDRD4ALDH1A1KDM4E
SCHEMBL6956631 0.77 MAPT (0.44) LMNAMAPTALDH1A1KDM4EGAA
SCHEMBL6955333 0.77 POLB (0.42) MAPTHTR7ALDH1A1KDM4EGAA
SCHEMBL6952935 0.75 MAP4K1 (0.41) HTR7ALDH1A1

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-0955293-B1 UREA DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-19 EP claimed