SCHEMBL3892980

SCHEMBL3892980

CC(=O)Nc1ccc(C(=O)Nc2ccc(-c3ccc(C(=O)NC4CN5CCC4CC5)o3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
POLB P06746 1/20 0.63
PTPN1 P18031 3/20 0.51
PTPN11 Q06124 1/20 0.50
MMP13 P45452 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CHRNA7 P36544 5/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL3896701 0.92 ALDH1A1 (0.66) ALDH1A1POLBMMP13MEN1KMT2A
SCHEMBL3899885 0.90 ALDH1A1 (0.63) ALDH1A1POLBPTPN1PTPN11CHRNA7
SCHEMBL3897649 0.90 ALDH1A1 (0.66) ALDH1A1POLBPTPN1PTPN11MEN1
SCHEMBL3891879 0.89 ALDH1A1 (0.62) ALDH1A1POLBPTPN1PTPN11KMT2A
SCHEMBL7060957 0.88 ALDH1A1 (0.70) ALDH1A1POLBMEN1KMT2ACHRNA7
SCHEMBL3891877 0.88 ALDH1A1 (0.60) ALDH1A1POLBPTPN1PTPN11CHRNA7
SCHEMBL3905397 0.87 ALDH1A1 (0.85) ALDH1A1POLBPTPN1PTPN11MEN1
SCHEMBL7059126 0.87 ALDH1A1 (0.69) ALDH1A1POLBMMP13MEN1KMT2A
SCHEMBL7060582 0.84 ALDH1A1 (0.72) ALDH1A1POLBCHRNA7HTR3EHTR3B
SCHEMBL7128710 0.83 ALDH1A1 (0.73) ALDH1A1POLBMMP13CHRNA7HTR3A

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
US-7514450-B2 Azabicyclic aryl derivatives NEUROSEARCH A/S (DK) 2009-04-07 US claimed
US-7514450-B2 Azabicyclic aryl derivatives NEUROSEARCH A/S (DK) 2009-04-07 US disclosed