SCHEMBL14503465

SCHEMBL14503465

c1ccc(CC2CCN(c3nc(N4CCCCC4)nc(N4CCCCC4)n3)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.74
MAPT P10636 4/20 0.54
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CCR3 P51677 2/20 0.53
ALDH1A1 P00352 3/20 0.50
HTT P42858 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
SLC18A3 Q16572 1/20 0.49
GLA P06280 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PRMT3 O60678 1/20 0.49
CARM1 Q86X55 1/20 0.49
PRMT6 Q96LA8 1/20 0.49

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
SCHEMBL5428564 0.82 TSHR (0.67) TSHRMAPTLMNASMN1; SMN2CCR3
SCHEMBL8119586 0.81 TSHR (0.64) TSHRMAPTLMNASMN1; SMN2CCR3
SCHEMBL1124068 0.76 TSHR (0.82) TSHRMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL1124034 0.76 TSHR (0.82) TSHRMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL7241082 0.76 SLC6A2 (0.71) TSHRMAPTLMNASMN1; SMN2CCR3
SCHEMBL11321905 0.76 TSHR (0.58) TSHRMAPTLMNASMN1; SMN2CCR3
SCHEMBL1124028 0.74 TSHR (0.79) TSHRMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL1124120 0.74 TSHR (0.79) TSHRMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL5596598 0.74 TSHR (0.56) TSHRMAPTLMNASMN1; SMN2CCR3
SCHEMBL6290794 0.73 GBA1 (0.63) CCR3POLBSLC18A3PRMT3CARM1

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-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed