SCHEMBL2406607

SCHEMBL2406607

c1cc2nc3c(cn2n1)CCC3

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 4/20 0.36
HTR6 P50406 2/20 0.36
HTR2C P28335 5/20 0.35
MAPK9 P45984 2/20 0.34
HTR2A P28223 4/20 0.33
TSHR P16473 1/20 0.33
MAPK10 P53779 1/20 0.33
DYRK1A Q13627 1/20 0.32
NPC1 O15118 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31

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
SCHEMBL2571507 0.81 HTR2C (0.45) HTR2BHTR6HTR2CHTR2A
SCHEMBL968179 0.77 HTR2C (0.42) HTR2BHTR6HTR2CHTR2A
Hydrochloric Acid SCHEMBL967326 0.76 HTR2C (0.41) HTR2BHTR6HTR2CHTR2A
SCHEMBL8566538 0.74
SCHEMBL970312 0.71 NOTUM (0.34) TSHRNPC1
Trifluoroacetic Acid SCHEMBL967950 0.67 HTR2C (0.37) HTR2BHTR6HTR2CHTR2A
SCHEMBL10779456 0.63 RAB9A (0.39) HTR2BHTR6MAPK9TSHRNPC1
SCHEMBL1290194 0.63 PDE10A (0.42) DYRK1A
SCHEMBL14572413 0.63 NPC1 (0.41) TSHRMAPK10NPC1
SCHEMBL22996563 0.62 TSHR (0.34) TSHR

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-1832590-B1 Heterotricyclic compounds as CRF receptor antagonists ONO PHARMACEUTICAL CO (JP) 2011-09-28 EP claimed
US-7034153-B2 Tricyclic and heterocyclic derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-04-25 US disclosed