SCHEMBL7904672

SCHEMBL7904672

CN(C)CCCOc1ccccc1-c1nnc(-n2nc(N)nc2N)s1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.39
KDM4E B2RXH2 4/20 0.38
HTR7 P34969 2/20 0.38
HRH3 Q9Y5N1 1/20 0.37
ALDH1A1 P00352 3/20 0.37
ATM Q13315 1/20 0.37
HRH1 P35367 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL7896515 0.90 HTR1B (0.38) HTR1BKDM4EHTR7HRH3ALDH1A1
SCHEMBL7896441 0.88 HTR1B (0.37) HTR1BKDM4EHTR7HRH3ALDH1A1
SCHEMBL7902642 0.88 HTR1B (0.36) HTR1BKDM4EHTR7HRH3ALDH1A1
Hydrochloric Acid SCHEMBL7903914 0.88 HTR1B (0.36) HTR1BKDM4EHTR7HRH3ALDH1A1
SCHEMBL7904622 0.86 HRH3 (0.39) HTR1BKDM4EHTR7HRH3ALDH1A1
SCHEMBL7903964 0.85 HTR1B (0.34) HTR1BKDM4EHTR7HRH3ALDH1A1
SCHEMBL7902674 0.85 HRH3 (0.40) HTR1BKDM4EHTR7HRH3ATM
SCHEMBL7896510 0.85 CACNA1B (0.40) HTR1BKDM4EHTR7HRH3HRH1
SCHEMBL7908461 0.84 HRH1 (0.37) HTR1BKDM4EHTR7HRH3ALDH1A1
SCHEMBL7903918 0.84 ATM (0.34) HTR1BKDM4EHTR7HRH3ALDH1A1

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
US-6191152-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS EGIS GYÓGYSZERGYAR RT. (HU) 2001-02-20 US disclosed