SCHEMBL1126843

SCHEMBL1126843

COCC(C)N1CCN(c2ccc(NC(=O)C(=O)c3c(-c4ccccc4)c(C)cn3C)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.41
NPY2R P49146 3/20 0.40
CCR3 P51677 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 2/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR6 P50406 1/20 0.37
RAD52 P43351 1/20 0.37

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
SCHEMBL1126664 0.83 NPY2R (0.45) SLC1A2NPY2RCCR3KMT2AGAA
SCHEMBL1127139 0.81 MAPT (0.48) MEN1KMT2AGAANPC1RAB9A
SCHEMBL1126561 0.77 MAPT (0.41) MEN1KMT2AGAANPC1RAB9A
SCHEMBL1127203 0.69 NPY2R (0.44) SLC1A2NPY2RCCR3MEN1KMT2A
SCHEMBL1126781 0.68 TSHR (0.38) MEN1KMT2AGAARAB9ANPSR1
SCHEMBL1127163 0.68 MAPT (0.41) NPY2RMEN1KMT2AGAANPC1
SCHEMBL1126845 0.67 HCRTR1 (0.41) MEN1KMT2ANPC1RAB9ATSHR
SCHEMBL1127158 0.67 FAAH (0.42) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1990333 0.66 MAPKAPK2 (0.41) NPY2RNPC1RAB9AMAPTHTR6
SCHEMBL91107 0.66 ALDH1A1 (0.50) MEN1KMT2ANPSR1MAPTMAPK1

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