SCHEMBL19003598

SCHEMBL19003598

C[C@H](S)CN1CCN(c2ccccn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.56
ALDH1A1 P00352 7/20 0.55
POLB P06746 3/20 0.55
LMNA P02545 3/20 0.55
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HSD17B10 Q99714 2/20 0.55
HPGD P15428 1/20 0.55
MAPK1 P28482 1/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 3/20 0.52
KCNH2 Q12809 1/20 0.52
HTR1A P08908 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52

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
SCHEMBL10147158 0.88 IGF1R (0.59) IGF1RALDH1A1POLBLMNAMAPT
SCHEMBL4491439 0.85 IGF1R (0.56) IGF1RALDH1A1POLBLMNAMAPT
SCHEMBL30874651 0.85 IGF1R (0.64) IGF1RALDH1A1POLBLMNAMAPT
SCHEMBL4486168 0.85 IGF1R (0.56) IGF1RALDH1A1POLBLMNAMAPT
SCHEMBL22639728 0.80 HTR1A (0.57) IGF1RALDH1A1POLBLMNAMAPT
SCHEMBL22639898 0.80 HTR1A (0.57) IGF1RALDH1A1POLBLMNAMAPT
SCHEMBL19003548 0.79 IGF1R (0.51) IGF1RALDH1A1POLBLMNAMAPT
SCHEMBL3867807 0.79 KDM4E (0.64) ALDH1A1POLBMAPTHSD17B10KDM4E
SCHEMBL10587768 0.79 IGF1R (0.64) IGF1RALDH1A1POLBLMNAMAPT
SCHEMBL13711971 0.79 KCNH2 (0.71) ALDH1A1POLBKCNH2HTR1ADRD2

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-2938344-B1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME (US) 2017-06-21 EP disclosed