SCHEMBL6624574

SCHEMBL6624574

CN(C)n1ccc2c(Cl)cccc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
CYP1A2 P05177 3/20 0.39
CYP2A6 P11509 3/20 0.39
HSD11B1 P28845 1/20 0.39
HTR6 P50406 3/20 0.35
NR3C2 P08235 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2C P28335 1/20 0.33
NR4A2 P43354 1/20 0.32
ADRA2A P08913 1/20 0.31
KRAS P01116 1/20 0.30

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
SCHEMBL6624793 0.81 SLC6A2 (0.45) NOTUMCYP1A2CYP2A6HSD11B1HTR6
SCHEMBL6624568 0.78 NOTUM (0.44) NOTUMCYP1A2CYP2A6HSD11B1HTR6
SCHEMBL6624046 0.77 HTR6 (0.57) CYP1A2HTR6HTR2C
SCHEMBL6626313 0.77 HTR2C (0.46) HTR6NR3C2SLC6A2SLC6A4HTR2C
SCHEMBL6624761 0.76 NOTUM (0.40) NOTUMHSD11B1SLC6A2
SCHEMBL6625582 0.76 NOTUM (0.31) NOTUM
SCHEMBL6625102 0.74 HTR2C (0.49) CYP2A6HTR6HTR2C
SCHEMBL6626176 0.74 ALDH1A1 (0.36) CYP1A2HTR6HTR2C
SCHEMBL1092615 0.74 HSD11B1 (0.57) NOTUMCYP1A2CYP2A6HSD11B1NR3C2
SCHEMBL7718987 0.71 NOTUM (0.52) NOTUMCYP1A2CYP2A6HSD11B1NR3C2

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