SCHEMBL7908481

SCHEMBL7908481

CN(C)CCCOc1ccccc1-c1nnc(-n2nc(N3CCOCC3)nc2N)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 5/20 0.44
PIK3CA P42336 5/20 0.44
PIK3CD O00329 4/20 0.44
PIK3R1 P27986 4/20 0.44
SUV39H2 Q9H5I1 2/20 0.37
PRKDC P78527 2/20 0.35
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
TSHR P16473 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MTOR P42345 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 1/20 0.34
AGER Q15109 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL7904622 0.92 HRH3 (0.39) PIK3CBPIK3CAPIK3CDPIK3R1SUV39H2
SCHEMBL7902674 0.91 HRH3 (0.40) PIK3CBPIK3CAPIK3CDPIK3R1SUV39H2
SCHEMBL7896551 0.89 CNR2 (0.36) PIK3CBPIK3CAPIK3CDPIK3R1CNR2
SCHEMBL7905274 0.87 HRH3 (0.41) PIK3CBPIK3CAPIK3CDPIK3R1KDM4E
SCHEMBL7896433 0.85 POLB (0.38) SUV39H2TSHRNPSR1KDM4ELMNA
SCHEMBL7904672 0.84 HTR1B (0.39) KDM4EHRH3HTR1B
SCHEMBL7908545 0.84 PRKDC (0.39) PIK3CBPIK3CAPIK3CDPIK3R1PRKDC
SCHEMBL7904007 0.83 USP2 (0.40) KDM4EMEN1LMNAKMT2ATDP1
SCHEMBL7896515 0.82 HTR1B (0.38) KDM4EHRH3HTR1B
SCHEMBL7896441 0.81 HTR1B (0.37) KDM4EHRH3HTR1B

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