SCHEMBL1126527

SCHEMBL1126527

CCCCn1c(C)cc(-c2ccccc2)c1C(=O)C(=O)Nc1ccc(N2CCN(c3nccc(C)c3C)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
HSD17B10 Q99714 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
POLB P06746 1/20 0.37
MT-CO2 P00403 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 2/20 0.36
USP2 O75604 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HPGD P15428 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35

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
SCHEMBL1126932 0.95 MAPT (0.38) MAPTHSD17B10ALDH1A1GAAPOLB
SCHEMBL1127445 0.92 TRPV1 (0.39) MAPTHSD17B10ALDH1A1GAAPOLB
SCHEMBL1127185 0.92 MALT1 (0.37) MAPTHSD17B10ALDH1A1GAAPOLB
SCHEMBL1126898 0.89 TRPV1 (0.41) MAPTHSD17B10ALDH1A1GAAPOLB
SCHEMBL1127265 0.88 KDR (0.37) MAPTHSD17B10ALDH1A1GAAPOLB
SCHEMBL1127332 0.87 MCHR1 (0.39) MAPTHSD17B10ALDH1A1GAAPOLB
SCHEMBL1127448 0.85 ALDH1A1 (0.39) MAPTHSD17B10ALDH1A1GAAPOLB
SCHEMBL1127076 0.83 TRPV1 (0.38) MAPTHSD17B10ALDH1A1GAAPOLB
SCHEMBL1126832 0.82 MAPT (0.37) MAPTHSD17B10ALDH1A1GAAPOLB
SCHEMBL1647342 0.80 MAPT (0.40) MAPTHSD17B10ALDH1A1GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO disclosed