SCHEMBL7908461

SCHEMBL7908461

CN(C)CCCOc1ccccc1-c1nnc(-n2nc(SCc3ccccc3)nc2N)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.37
PAK4 O96013 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
KDM4E B2RXH2 3/20 0.35
HTR7 P34969 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR1B P28222 1/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
ATM Q13315 1/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL7903964 0.89 HTR1B (0.34) HRH3KDM4EHTR7ADRB2ADRB1
SCHEMBL7904676 0.89 RAB9A (0.33) PAK4KDM4EMEN1MAPTKMT2A
SCHEMBL7896441 0.88 HTR1B (0.37) HRH1HRH3KDM4EHTR7ADRB2
Hydrochloric Acid SCHEMBL7903914 0.88 HTR1B (0.36) HRH1HRH3KDM4EHTR7ADRB2
SCHEMBL7908493 0.87 HTR1B (0.33) HRH1HRH3KDM4EHTR7ADRB2
SCHEMBL7903818 0.87 ATM (0.34) HRH1HRH3KDM4EHTR7ADRB2
SCHEMBL7908544 0.87 KDM4E (0.34) HRH3KDM4EHTR7ADRB2ADRB1
SCHEMBL7904672 0.84 HTR1B (0.39) HRH1HRH3KDM4EHTR7ADRB2
SCHEMBL7905806 0.84 HTR7 (0.40) KDM4EHTR7ADRB2ADRB1HTR1B
SCHEMBL7896510 0.83 CACNA1B (0.40) HRH1HRH3KDM4EHTR7HTR1B

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