SCHEMBL15076166

SCHEMBL15076166

CCc1ccc(F)cc1OCCc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SYK P43405 3/20 0.44
RAB9A P51151 1/20 0.43
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
P2RY1 P47900 1/20 0.41
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
HTT P42858 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
SCHEMBL15062003 0.83 SYK (0.46) MAPTKDM4ESMN1; SMN2SYKRAB9A
SCHEMBL17955464 0.80 ALDH1A1 (0.48) MAPTKDM4ESMN1; SMN2SYKRAB9A
SCHEMBL2558141 0.77 SYK (0.44) MAPTKDM4ESMN1; SMN2SYKRAB9A
SCHEMBL15076151 0.76 CYP11B1 (0.58) CYP11B1CYP11B2L3MBTL1
SCHEMBL15986618 0.76 MAPT (0.44) MAPTKDM4ENPSR1L3MBTL1P2RY1
SCHEMBL26023956 0.73 L3MBTL1 (0.46) MAPTKDM4ESMN1; SMN2NPSR1L3MBTL1
SCHEMBL12301168 0.73 CA12 (0.47) MAPTSMN1; SMN2SYKKMT2AHTT
SCHEMBL15713604 0.72 L3MBTL1 (0.52) MAPTKDM4ENPSR1L3MBTL1HTT
SCHEMBL15062006 0.72 IDO1 (0.46) MAPTNPSR1L3MBTL1HTT
SCHEMBL17689116 0.71 L3MBTL1 (0.42) MAPTKDM4ENPSR1L3MBTL1P2RY1

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
WO-2013091773-A1 TETRAAZA-CYCLOPENTA[A]INDENYL AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS MERCK PATENT GMBH (DE) 2013-06-27 WO disclosed