SCHEMBL1127028

SCHEMBL1127028

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TRPV1 Q8NER1 2/20 0.38
TSHR P16473 1/20 0.37
PSEN1 P49768 4/20 0.35
PSEN2 P49810 4/20 0.35
APH1B Q8WW43 4/20 0.35
NCSTN Q92542 4/20 0.35
APH1A Q96BI3 4/20 0.35
PSENEN Q9NZ42 4/20 0.35
MAPT P10636 2/20 0.35
RECQL P46063 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
PANK3 Q9H999 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
SCHEMBL1126898 0.85 TRPV1 (0.41) MALT1NPC1RAB9ATRPV1PSEN1
SCHEMBL1993791 0.79 TRPV1 (0.38) NPC1RAB9ATRPV1TSHRMAPT
SCHEMBL1126932 0.77 MAPT (0.38) MALT1NPC1RAB9ATRPV1TSHR
SCHEMBL1127445 0.77 TRPV1 (0.39) MALT1TRPV1TSHRPSEN1PSEN2
SCHEMBL1126527 0.76 MAPT (0.37) TRPV1TSHRPSEN1PSEN2APH1B
SCHEMBL1127448 0.75 ALDH1A1 (0.39) MALT1TRPV1TSHRMAPTALDH1A1
SCHEMBL1647342 0.74 MAPT (0.40) MALT1NPC1RAB9ATRPV1PSEN1
SCHEMBL1127185 0.74 MALT1 (0.37) MALT1NPC1RAB9ATRPV1TSHR
SCHEMBL1127265 0.74 KDR (0.37) MALT1TRPV1TSHRPSEN1PSEN2
SCHEMBL1127332 0.74 MCHR1 (0.39) MALT1NPC1RAB9ATRPV1PSEN1

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 claimed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO claimed