SCHEMBL6462987

SCHEMBL6462987

CC(C)=C1Oc2cccc(OCCCN3CCC(NC(=O)c4ccc(C)cc4)CC3)c2C1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.47
HTR1A P08908 2/20 0.47
POLB P06746 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
HRH2 P25021 2/20 0.42
HRH1 P35367 2/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
TSHR P16473 1/20 0.42
MAPK10 P53779 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL6466592 0.93 HTR7 (0.55) HTR7HTR1APOLBHRH2HRH1
SCHEMBL6457124 0.93 ADRA1D (0.50) HTR7HTR1APOLBHRH2HRH1
SCHEMBL6461236 0.93 HTR7 (0.46) HTR7HTR1APOLBHRH2HRH1
SCHEMBL6463130 0.92 POLB (0.51) HTR7HTR1APOLBALDH1A1HRH2
SCHEMBL6458101 0.91 HTR7 (0.54) HTR7HTR1APOLBADRA1DADRA1A
SCHEMBL6462598 0.91 HTR7 (0.54) HTR7HTR1APOLBADRA1DADRA1A
SCHEMBL6467624 0.90 HRH2 (0.55) HTR7HTR1APOLBHRH2HRH1
SCHEMBL6457611 0.90 SLC6A5 (0.51) HTR7HTR1A
SCHEMBL6472358 0.89 DRD4 (0.56) HTR7HTR1APOLB
SCHEMBL6457221 0.88 HTR7 (0.55) HTR7HTR1A

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-1012147-B1 O-SUBSTITUTED HYDROXYCUMARANONE DERIVATIVES AS ANTITUMOR AND ANTIMETASTATIC AGENTS HOFFMANN LA ROCHE (CH) 2005-11-02 EP disclosed
US-6200989-B1 ADMINISTERING AS UROKINASE PLASMINOGEN ACTIVATOR ANTAGONISTS, ANTITUMOR AND ANTIMETASTASIS AGENTS HOFFMANN-LA ROCHE INC. 2001-03-13 US disclosed