SCHEMBL1127209

SCHEMBL1127209

CCOC(=O)Cn1ccc(-c2ccccc2)c1C(=O)C(=O)Nc1ccc(N2CCN(c3nccc(C)c3C)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.39
KDR P35968 2/20 0.38
FPR2 P25090 4/20 0.37
GAA P10253 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
NPY2R P49146 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
REV1 Q9UBZ9 1/20 0.35
MAPT P10636 2/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
NR4A1 P22736 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
SCHEMBL1127257 0.90 GAA (0.38) ALDH1A1TSHRKDRGAATRPV1
SCHEMBL1127448 0.83 ALDH1A1 (0.39) ALDH1A1TSHRKDRGAATRPV1
SCHEMBL1127445 0.82 TRPV1 (0.39) ALDH1A1TSHRKDM4EGAATRPV1
SCHEMBL1987403 0.81 ALDH1A1 (0.40) ALDH1A1TSHRKDM4EGAANPY2R
SCHEMBL1127265 0.80 KDR (0.37) ALDH1A1TSHRKDRGAATRPV1
SCHEMBL1126898 0.80 TRPV1 (0.41) ALDH1A1KDM4EKDRGAATRPV1
SCHEMBL1127072 0.79 MALT1 (0.39) ALDH1A1TSHRKDM4EKDRFPR2
SCHEMBL1126932 0.79 MAPT (0.38) ALDH1A1TSHRKDRGAATRPV1
SCHEMBL1127076 0.78 TRPV1 (0.38) ALDH1A1TSHRGAATRPV1NPY2R
SCHEMBL1126527 0.78 MAPT (0.37) ALDH1A1TSHRGAATRPV1MAPT

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