SCHEMBL10698716

SCHEMBL10698716

C=CCN1CCC(c2csc(N)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
LMNA P02545 2/20 0.43
ADRA2A P08913 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
HTR2A P28223 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
OPRK1 P41145 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RAD52 P43351 1/20 0.42
RAB9A P51151 2/20 0.41
HSD17B10 Q99714 2/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL2657694 0.86 RAB9A (0.41) MAPTSMN1; SMN2TDP1LMNAKDM4E
SCHEMBL3254368 0.85 LMNA (0.45) MAPTSMN1; SMN2TDP1LMNAADRA2A
SCHEMBL5186871 0.78 DRD2 (0.46) MAPTDRD2KDM4EALDH1A1RAB9A
SCHEMBL10697145 0.78 ALDH1A1 (0.47) LMNAADRA2ADRD2ADRA2BADRA2C
SCHEMBL10697144 0.78 ALDH1A1 (0.47) LMNAADRA2ADRD2ADRA2BADRA2C
SCHEMBL10697290 0.77 RAB9A (0.41) MAPTSMN1; SMN2TDP1LMNAKDM4E
SCHEMBL10697176 0.76 MAPT (0.43) MAPTKDM4EALDH1A1RAB9AMEN1
SCHEMBL965277 0.76
SCHEMBL10762717 0.74 HSD17B10 (0.42) MAPTSMN1; SMN2TDP1LMNAADRA2A
SCHEMBL1794807 0.72 SMN1; SMN2 (0.53) MAPTSMN1; SMN2TDP1LMNAKDM4E

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-0280873-A1 Piperidines, medicines containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-09-07 EP disclosed