SCHEMBL19908699

SCHEMBL19908699

CCCNc1cc(C(=O)CN2CCCCC2)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.50
ALPG P10696 1/20 0.50
ALDH1A1 P00352 8/20 0.48
GLA P06280 1/20 0.48
MAOB P27338 3/20 0.47
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
RECQL P46063 1/20 0.46
CNR2 P34972 1/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
RAD52 P43351 2/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 2/20 0.38
GFER P55789 1/20 0.38
AGTR1 P30556 1/20 0.38
NPC1 O15118 3/20 0.38
MAPT P10636 2/20 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
SCHEMBL19908607 0.90 ALPL (0.52) ALPLALPGALDH1A1GLAMAOB
SCHEMBL19908620 0.79 ALPL (0.63) ALPLALPGALDH1A1GLAMAOB
SCHEMBL23469195 0.75 ALPL (0.52) ALPLALPGALDH1A1GLAMAOB
SCHEMBL3416308 0.74 ALDH1A1 (0.54) ALDH1A1GLAHPGDKDM4EMEN1
SCHEMBL3355586 0.74 PTGER4 (0.53) ALDH1A1GLAKDM4EMEN1KMT2A
SCHEMBL2930807 0.74 ACP1 (0.49) ALDH1A1HRH3TSHRLMNAMAPT
SCHEMBL1205232 0.73 LNPEP (0.57) ALDH1A1GLAHPGDKDM4EKMT2A
SCHEMBL13950994 0.71 CCNA2 (0.49) ALDH1A1HPGDKDM4EHTTLMNA
SCHEMBL3122205 0.71 ALPL (0.50) ALPLALPGALDH1A1GLAMAOB
SCHEMBL3720352 0.69 ALOX15 (0.46) ALDH1A1GLAHPGDKDM4EHTT

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-3287441-B1 ACYLATED 4-AMINOPIPERIDINES AS INHIBITORS OF SERINE PALMITOYLTRANSFERASE TAKEDA PHARMACEUTICALS CO (JP) 2021-06-09 EP disclosed
EP-3287441-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-28 EP disclosed