SCHEMBL1127380

SCHEMBL1127380

Cc1ccnc(N2CCN(c3ccc(NC(=O)C(=O)c4c(-c5ccccc5)cc5n4CCOC5)cc3)CC2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
ALDH1A1 P00352 4/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DGAT1 O75907 1/20 0.40
PSEN1 P49768 4/20 0.39
PSEN2 P49810 4/20 0.39
APH1B Q8WW43 4/20 0.39
NCSTN Q92542 4/20 0.39
APH1A Q96BI3 4/20 0.39
PSENEN Q9NZ42 4/20 0.39
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRNA7 P36544 1/20 0.37
TRPV1 Q8NER1 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
SCHEMBL1988718 0.87 CHRNA7 (0.41) MAPTALDH1A1HTTLMNAPOLB
SCHEMBL1994121 0.85 ALDH1A1 (0.43) MAPTALDH1A1HTTLMNAPOLB
SCHEMBL1126898 0.83 TRPV1 (0.41) MAPTALDH1A1HTTLMNAPOLB
SCHEMBL1990351 0.83 DGAT1 (0.42) MAPTALDH1A1HTTLMNAPOLB
SCHEMBL2007078 0.83 REV1 (0.40) MAPTALDH1A1HTTLMNAPOLB
SCHEMBL1993691 0.83 MAPT (0.42) MAPTALDH1A1HTTLMNAPOLB
SCHEMBL1993154 0.82 MAPT (0.43) MAPTALDH1A1HTTLMNAPOLB
SCHEMBL1127445 0.81 TRPV1 (0.39) MAPTALDH1A1HTTLMNAPOLB
SCHEMBL1988085 0.80 MAPT (0.42) MAPTALDH1A1HTTLMNAPOLB
SCHEMBL1126932 0.79 MAPT (0.38) MAPTALDH1A1HTTLMNAPOLB

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