SCHEMBL7595072

SCHEMBL7595072

COc1cccc(C(=O)n2cc(C3=CCN4CCCC4C3)c3cnccc32)c1OC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 2/20 0.37
BTK Q06187 3/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
HTT P42858 1/20 0.36
HSD11B1 P28845 1/20 0.35
PDE2A O00408 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
LMNA P02545 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
SCHEMBL2063435 0.90 BTK (0.38) KMT2AMEN1GAAKDM4EBTK
SCHEMBL2064235 0.83 KDM2B (0.36) KMT2AGAAKDM4EBTKALDH1A1
SCHEMBL2064459 0.81 HTR6 (0.46) KDM4EBTKALDH1A1POLB
SCHEMBL2064415 0.81 BTK (0.35) KDM4EBTKTSHR
SCHEMBL2064496 0.74 ELANE (0.38) KMT2AMEN1HSD17B10KDM4ETSHR
SCHEMBL7006378 0.70 HTR6 (0.44) KMT2AMEN1GAAALDH1A1POLB
SCHEMBL7006379 0.70 HTR6 (0.44) KMT2AMEN1GAAALDH1A1POLB
SCHEMBL2064263 0.69 HTR6 (0.47) KDM4EALDH1A1
SCHEMBL2064750 0.66 HTR6 (0.41) KMT2AMEN1ALDH1A1
SCHEMBL2064466 0.66 HTR6 (0.47) HSD11B1

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-1204662-A1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS Allelix Corp. (CA) 2002-05-15 EP disclosed
WO-2001012629-A1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS ALLELIX CORP. (US) 2001-02-22 WO disclosed