SCHEMBL14503587

SCHEMBL14503587

N[C@@H]1C[C@H](N)CN(c2nc(NC(c3ccccc3)c3ccccc3)nc(N3CCCCC3)n2)C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.48
LMNA P02545 4/20 0.46
GAA P10253 5/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
TAAR1 Q96RJ0 1/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 4/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 2/20 0.42
ALOX12 P18054 1/20 0.42
MEN1 O00255 2/20 0.41
ACHE P22303 5/20 0.41
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GLA P06280 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL5378092 0.93 ACHE (0.38) NPSR1LMNAACHEHTT
SCHEMBL14533202 0.87 NPSR1 (0.60) NPSR1LMNAGAAKMT2AMAPT
SCHEMBL5380907 0.80 HTR7 (0.44) NPSR1LMNAGAAKMT2AMAPT
SCHEMBL5380797 0.78 HTT (0.43) NPSR1LMNAGAAMAPTALDH1A1
SCHEMBL5382285 0.78 CDK1 (0.39) LMNAMAPTALDH1A1KDM4ETSHR
SCHEMBL5384017 0.78 IDH1 (0.41) LMNAMAPTALDH1A1KDM4ETSHR
SCHEMBL5382850 0.78 CDK1 (0.39) LMNAMAPTALDH1A1KDM4ETSHR
SCHEMBL5382275 0.78 CDK1 (0.39) LMNAMAPTALDH1A1KDM4ETSHR
SCHEMBL14503245 0.78 IDH2 (0.42) LMNAMAPTALDH1A1KDM4ETSHR
SCHEMBL5383953 0.77 MKNK2 (0.40) NPSR1LMNAMAPTALDH1A1KDM4E

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