SCHEMBL6152212

SCHEMBL6152212

O=C(c1cccs1)N1CCCc2cccc(OCCCC3CCCNC3)c21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
HRH3 Q9Y5N1 1/20 0.42
ALDH1A1 P00352 2/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
PBK Q96KB5 4/20 0.38
S1PR5 Q9H228 1/20 0.38
TP53 P04637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPY1R P25929 5/20 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
SCHEMBL6143538 0.82 HRH3 (0.65) TSHRHRH3ALDH1A1MAPTLMNA
SCHEMBL6142865 0.81 S1PR5 (0.41) HRH3MAPTLMNAS1PR5MEN1
SCHEMBL6109481 0.78 HRH3 (0.66) TSHRHRH3ALDH1A1MAPTLMNA
SCHEMBL6142844 0.70 HTR6 (0.43) HRH3MAPTLMNAS1PR5MEN1
SCHEMBL6143897 0.64 GPR119 (0.47) TSHRHRH3MAPT
SCHEMBL6143807 0.64 GPR119 (0.49) HRH3
SCHEMBL7786542 0.64 KCNA3 (0.44) HRH3KMT2ANPY1R
SCHEMBL30734529 0.63 NPY1R (0.45) HRH3KMT2ANPY1R
SCHEMBL30735500 0.63 NPY1R (0.45) HRH3KMT2ANPY1R
SCHEMBL7070092 0.63 S1PR5 (0.42) HRH3S1PR5NPY1R

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-1585731-A2 HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATON AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2004026837-A2 HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATON AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2004-04-01 WO disclosed