SCHEMBL20051973

SCHEMBL20051973

C[C@H]1Cc2ccccc2N2c3ccccc3N(c3ccccc3)C12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.38
ROCK1 Q13464 1/20 0.38
MTNR1A P48039 3/20 0.36
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
HTR2B P41595 3/20 0.36
ALDH1A1 P00352 1/20 0.36
SLC6A2 P23975 1/20 0.36
MTNR1B P49286 2/20 0.35

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
SCHEMBL22005465 0.79 ROCK1 (0.51) NOTUMROCK1HTR2AHTR2CHTR2B
SCHEMBL7075121 0.79 ROCK1 (0.51) NOTUMROCK1HTR2AHTR2CHTR2B
SCHEMBL19954697 0.75 NOTUM (0.42) NOTUMROCK1MTNR1ASLC6A2MTNR1B
SCHEMBL18707381 0.75 NOTUM (0.42) NOTUMROCK1MTNR1ASLC6A2MTNR1B
SCHEMBL17364348 0.73 GAA (0.41) ALDH1A1
SCHEMBL11445560 0.72 NOTUM (0.42) NOTUMROCK1MTNR1ASLC6A2
SCHEMBL22923714 0.72 NOTUM (0.42) NOTUMMTNR1ASLC6A2MTNR1B
SCHEMBL8016689 0.70 NOTUM (0.44) NOTUMMTNR1A
SCHEMBL13241995 0.70 ROCK1 (0.47) NOTUMROCK1HTR2AHTR2CHTR2B
SCHEMBL12787319 0.69 GAA (0.39) MTNR1AALDH1A1

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-9944629-B2 Material for organic electroluminescent element, organic electroluminescent element, illumination device, and display device Konica Minolta, Inc. (JP) 2018-04-17 US disclosed