SCHEMBL3260101

SCHEMBL3260101

N#Cc1ccc2[nH]c(Cc3ccc4ccccc4c3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.49
DRD4 P21917 7/20 0.49
DRD3 P35462 7/20 0.49
CYP19A1 P11511 2/20 0.49
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
F2 P00734 3/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
CHEK1 O14757 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
ITK Q08881 1/20 0.39

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
SCHEMBL5794338 0.86 CYP19A1 (0.57) DRD2DRD4DRD3CYP19A1F2
SCHEMBL6991388 0.81 LOXL2 (0.49) DRD2DRD4DRD3F2GRIN1
SCHEMBL6991892 0.81 LOXL2 (0.55)
SCHEMBL6989797 0.81 DRD2 (0.58) DRD2DRD4DRD3CYP19A1F2
SCHEMBL6990646 0.80 DRD2 (0.49) DRD2DRD4DRD3CYP19A1F2
SCHEMBL7489906 0.79 HRH3 (0.52) F2ITK
SCHEMBL31739229 0.76 CYP11B1 (0.50) CCNCCDK8
SCHEMBL3262489 0.76 RAB9A (0.48) F2
SCHEMBL18798850 0.75 LOXL2 (0.53) F2
Water SCHEMBL1898776 0.73 CA1 (0.59) CYP19A1SLC6A2SLC6A4SLC6A3KCNH2

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-2010011147-A1 INDOLE COMPOUNDS THIA MEDICA AS (NO) 2010-01-28 WO disclosed