SCHEMBL7560032

SCHEMBL7560032

Cc1ccc(OC(C)COc2nc3ccccc3nc2N2CCNCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 15/20 0.53
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
KMT2A Q03164 1/20 0.53
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR3A P46098 1/20 0.40
CSNK1A1 P48729 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
SCHEMBL7463679 0.92 HRH4 (0.56) HRH4MEN1POLBKMT2ATSHR
SCHEMBL4309930 0.92 HRH4 (0.50) HRH4MEN1POLBKMT2ATSHR
SCHEMBL4309987 0.84 HRH4 (0.50) HRH4MEN1POLBKMT2ATSHR
SCHEMBL4318596 0.79 HRH4 (0.47) HRH4MEN1POLBKMT2AHTR3A
SCHEMBL6046294 0.77 HTR6 (0.43)
SCHEMBL4313461 0.76 ADRB1 (0.38) TSHR
SCHEMBL4315093 0.73 TSHR (0.73) HRH4MEN1POLBKMT2ATSHR
SCHEMBL24969772 0.72 HRH4 (0.70) HRH4MEN1POLBKMT2ATSHR
SCHEMBL30223071 0.72 HRH4 (0.70) HRH4MEN1POLBKMT2ATSHR
SCHEMBL4308805 0.72 TSHR (0.60) HRH4MEN1POLBKMT2ATSHR

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-1178973-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Pharmacia AB (SE) 2002-02-13 EP disclosed
WO-2000076984-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2000-12-21 WO disclosed