SCHEMBL6625810

SCHEMBL6625810

CN(c1ccccc1)n1ccc2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.75
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
CDK4 P11802 2/20 0.39
CCND1 P24385 2/20 0.39
NOTUM Q6P988 1/20 0.39
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL7615812 0.86 SLC6A2 (1.00) SLC6A2
SCHEMBL6624855 0.80 SLC6A2 (0.50) SLC6A2HTR2AHTR2CCDK4CCND1
SCHEMBL6625147 0.80 SLC6A2 (0.51) SLC6A2HTR2AHTR2C
SCHEMBL3365470 0.79 SLC6A2 (0.58) SLC6A2HTR2AHTR2CCDK4CCND1
Maleic Acid SCHEMBL7619568 0.79 SLC6A2 (0.77) SLC6A2
Fumaric Acid SCHEMBL7619574 0.79 SLC6A2 (0.77) SLC6A2
SCHEMBL4102885 0.74 SLC6A2 (0.49) SLC6A2HTR2AHTR2CNOTUMALDH1A1
SCHEMBL6005012 0.72 SLC6A2 (0.50) SLC6A2HTR2AHTR2CCDK4CCND1
SCHEMBL6006493 0.72 SLC6A2 (0.50) SLC6A2HTR2AHTR2CCDK4CCND1
SCHEMBL13037083 0.71 SLC6A2 (0.49) SLC6A2HTR2AHTR2CALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1035114-B1 Processes for the preparation of nitrogen-heterocyclic compounds TOSOH CORP (JP) 2004-11-24 EP disclosed
US-6346621-B1 INDOLE OR QUINOLINE COMPOUNDS SUBSTITUTED WITH AMINO COMPOUNDS ON NITROGEN TOSOH CORPORATION (JP) 2002-02-12 US disclosed
EP-1035114-A2 Nitrogen-heterocyclic compounds and process for production thereof TOSOH CORPORATION (JP) 2000-09-13 EP disclosed