SCHEMBL2365579

SCHEMBL2365579

CN1CCN(c2nc(N3CCN(c4ccccc4)S3)cc3ccoc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
HRH4 Q9H3N8 5/20 0.39
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR3A P46098 4/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MAT2A P31153 1/20 0.36

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
SCHEMBL12444826 0.80 TSHR (0.39) TSHRHRH4KMT2AHTR3AHTR3E
SCHEMBL2333603 0.79 MEN1 (0.41) TSHRHRH4KMT2AMEN1HTR3A
SCHEMBL14716849 0.79 TSHR (0.38) TSHRHRH4KMT2AHTR3AHTR3E
Hydrochloric Acid SCHEMBL2360446 0.78 MEN1 (0.40) TSHRHRH4KMT2AMEN1HTR3A
SCHEMBL14733337 0.72 ALOX15 (0.41) TSHRHRH4ALDH1A1POLBSMN1; SMN2
SCHEMBL2361148 0.71 HTR6 (0.39) TSHRHRH4HTR3A
SCHEMBL2329668 0.70 ALOX15 (0.37) HRH4HTR3A
SCHEMBL2331812 0.70 HRH4 (0.38) HRH4HTR3A
Hydrochloric Acid SCHEMBL14717021 0.70 HTR6 (0.39) TSHRHRH4HTR3A
SCHEMBL2329791 0.70 HRH4 (0.37) HRH4KMT2AKDM4EMEN1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536711-A1 5-HT RECEPTOR MODULATORS Cambridge Enterprise Limited (GB) 2012-12-26 EP claimed
EP-2536711-A1 5-HT RECEPTOR MODULATORS Cambridge Enterprise Limited (GB) 2012-12-26 EP disclosed
WO-2011098776-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-08-18 WO disclosed