SCHEMBL6250339

SCHEMBL6250339

CCC(O)(CC)CCCN(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 2/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
DNM1 Q05193 3/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 2/20 0.31
HRH4 Q9H3N8 2/20 0.31
CYP2D6 P10635 1/20 0.31
HRH2 P25021 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HSD17B10 Q99714 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL29135190 0.80 BCL2 (0.41) BCL2ALDH1A1TSHRDNM1LMNA
SCHEMBL14937470 0.78 BCL2 (0.40) BCL2ALDH1A1TSHRDNM1LMNA
SCHEMBL26103975 0.78 FDPS (0.35) ALDH1A1
SCHEMBL29268234 0.76 BCL2 (0.39) BCL2ALDH1A1TSHRDNM1LMNA
SCHEMBL22778217 0.75 DNM1 (0.65) ALDH1A1TSHRDNM1
SCHEMBL3514122 0.74 ALDH1A1 (0.47) BCL2ALDH1A1TSHRDNM1LMNA
SCHEMBL8195998 0.74
SCHEMBL23011173 0.73 ALDH1A1 (0.36) ALDH1A1MAPTSMN1; SMN2
SCHEMBL14000101 0.73 MAPT (0.38) ALDH1A1MAPTSMN1; SMN2
SCHEMBL2348341 0.73 FDPS (0.37) ALDH1A1TSHRLMNA

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-1534705-A1 PROCESS FOR PREPARING ZOLMITRIPTAN COMPOUNDS VITA CIENTIFICA, S.L. (ES) 2005-06-01 EP disclosed
WO-2004014901-A1 PROCESS FOR PREPARING ZOLMITRIPTAN COMPOUNDS VITA CIENTIFICA, S.L. (ES) 2004-02-19 WO disclosed