SCHEMBL19908620

SCHEMBL19908620

Nc1ccc(C(=O)CN2CCCCC2)cc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.63
ALPG P10696 1/20 0.63
MAOB P27338 4/20 0.58
ALDH1A1 P00352 8/20 0.56
GLA P06280 1/20 0.56
KDM4E B2RXH2 4/20 0.52
HPGD P15428 3/20 0.52
RECQL P46063 1/20 0.52
HRH3 Q9Y5N1 2/20 0.50
HTT P42858 1/20 0.50
CNR2 P34972 1/20 0.45
GAA P10253 2/20 0.45
HSD17B10 Q99714 2/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.43
AGTR1 P30556 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL19908607 0.81 ALPL (0.52) ALPLALPGMAOBALDH1A1GLA
SCHEMBL19908699 0.79 ALPL (0.50) ALPLALPGMAOBALDH1A1GLA
SCHEMBL3122205 0.79 ALPL (0.50) ALPLALPGMAOBALDH1A1GLA
SCHEMBL23469195 0.78 ALPL (0.52) ALPLALPGMAOBALDH1A1GLA
SCHEMBL11551316 0.76 ALPL (0.61) ALPLALPGMAOBALDH1A1GLA
SCHEMBL11680119 0.76 ALPL (0.61) ALPLALPGMAOBALDH1A1GLA
SCHEMBL11678584 0.76 KDM4E (0.62) ALPLALPGMAOBALDH1A1GLA
Bromide SCHEMBL9787677 0.76 ALDH1A1 (0.69) ALPLALPGMAOBALDH1A1GLA
SCHEMBL26922539 0.75 ALDH1A1 (0.68) ALPLALPGMAOBALDH1A1GLA
Hydrochloric Acid SCHEMBL11678840 0.75 ALPL (0.64) ALPLALPGMAOBALDH1A1GLA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3287441-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-28 EP disclosed