SCHEMBL1126898

SCHEMBL1126898

Cc1ccnc(N2CCN(c3ccc(NC(=O)C(=O)c4c(-c5ccccc5)cc(C)n4C)cc3)CC2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.41
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
GAA P10253 3/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
KIT P10721 1/20 0.37
PDGFRA P16234 1/20 0.37
KDR P35968 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
SCHEMBL1126932 0.90 MAPT (0.38) TRPV1ALDH1A1MAPTGAAPOLB
SCHEMBL1127445 0.90 TRPV1 (0.39) TRPV1ALDH1A1MAPTGAAPOLB
SCHEMBL1126527 0.89 MAPT (0.37) TRPV1ALDH1A1MAPTGAAPOLB
SCHEMBL1127448 0.88 ALDH1A1 (0.39) TRPV1ALDH1A1MAPTGAAPOLB
SCHEMBL1128062 0.87 NPY2R (0.38) ALDH1A1MAPTLMNAMALT1KIT
SCHEMBL1127185 0.86 MALT1 (0.37) TRPV1ALDH1A1MAPTGAAPOLB
SCHEMBL1127332 0.86 MCHR1 (0.39) TRPV1ALDH1A1MAPTGAAPOLB
SCHEMBL1127265 0.86 KDR (0.37) TRPV1ALDH1A1MAPTGAAPOLB
SCHEMBL1647342 0.85 MAPT (0.40) TRPV1ALDH1A1MAPTGAAPOLB
SCHEMBL1127028 0.85 MALT1 (0.39) TRPV1ALDH1A1MAPTLMNANPC1

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