SCHEMBL19954697

SCHEMBL19954697

c1ccc(N2c3ccccc3N3c4ccccc4C[C@H]23)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.42
HPGD P15428 1/20 0.38
MTNR1A P48039 3/20 0.37
SLC6A2 P23975 1/20 0.36
MTNR1B P49286 2/20 0.35
AADAT Q8N5Z0 2/20 0.35
GOT1 P17174 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
KYAT1 Q16773 1/20 0.35
KYAT3 Q6YP21 1/20 0.35
ROCK1 Q13464 1/20 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
SCHEMBL18707381 1.00 NOTUM (0.42) NOTUMHPGDMTNR1ASLC6A2MTNR1B
SCHEMBL12609751 0.88 NOTUM (0.37) NOTUMHPGDMTNR1ASLC6A2MTNR1B
SCHEMBL25879868 0.86 LMNA (0.35) NOTUMMTNR1ASLC6A2MTNR1BAADAT
SCHEMBL28648154 0.84 NOTUM (0.44) NOTUMHPGDMTNR1ASLC6A2AADAT
SCHEMBL17831021 0.81 ROCK1 (0.37) NOTUMHPGDADRA2AADRA2BADRA2C
SCHEMBL17751472 0.80 ROCK1 (0.39) NOTUMHPGDADRA2AADRA2BADRA2C
SCHEMBL19954699 0.80 ROCK1 (0.39) NOTUMHPGDADRA2AADRA2BADRA2C
SCHEMBL19230066 0.79 NOTUM (0.36) NOTUMHPGDMTNR1AADRA2AADRA2B
SCHEMBL17751487 0.77 LMNA (0.38) NOTUMHPGDROCK1
SCHEMBL17751492 0.77 LMNA (0.38) NOTUMHPGDROCK1

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-9917263-B2 Transparent electrode, electronic device, and organic electroluminescent element Konica Minolta, Inc. (JP) 2018-03-13 US disclosed