SCHEMBL13619409

SCHEMBL13619409

CCCCN(CC)C1CCN(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
GNAI3 P08754 4/20 0.41
GNAO1 P09471 4/20 0.41
GNAI1 P63096 4/20 0.41
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
PGR P06401 1/20 0.36
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
GRIN2B Q13224 1/20 0.34
NCF1 P14598 1/20 0.33

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
SCHEMBL24700245 0.88 DRD3 (0.39)
SCHEMBL12859391 0.85 HTR2A (0.34) KMT2AGNAI3GNAO1GNAI1HTR2A
SCHEMBL688401 0.83 NCF1 (0.41) KMT2AGNAI3GNAO1GNAI1HTR2A
SCHEMBL3373689 0.83 ADH1C (0.41) KMT2AGRIN2B
SCHEMBL23252489 0.83 KMT2A (0.50) KMT2AGNAI3GNAO1GNAI1MEN1
SCHEMBL12120557 0.81 KMT2A (0.49) KMT2AGNAI3GNAO1GNAI1MEN1
SCHEMBL21186834 0.81 KMT2A (0.35) KMT2AGNAI3GNAO1GNAI1PGR
SCHEMBL17285938 0.81 KMT2A (0.40) KMT2AGNAI3GNAO1GNAI1HTR2A
SCHEMBL16122029 0.81 NCF1 (0.38) KMT2AHTR2AHTR2CMEN1RAB9A
SCHEMBL18469956 0.81 NCF1 (0.38) KMT2AGNAI3GNAO1GNAI1HTR2A

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-2009143389-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed