SCHEMBL28822305

SCHEMBL28822305

CCCCN(O)N1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.46
GNAO1 P09471 9/20 0.38
GNAI3 P08754 8/20 0.38
GNAI1 P63096 8/20 0.38

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
SCHEMBL27666610 0.81 SIGMAR1 (0.46) SIGMAR1GNAO1GNAI3GNAI1
SCHEMBL3597801 0.79 SIGMAR1 (0.33) SIGMAR1GNAO1GNAI3GNAI1
SCHEMBL10877051 0.78 SIGMAR1 (0.44) SIGMAR1GNAO1GNAI3GNAI1
SCHEMBL4724864 0.76 SIGMAR1 (0.42) SIGMAR1GNAO1GNAI3GNAI1
SCHEMBL5731593 0.74 SIGMAR1 (0.49) SIGMAR1GNAO1GNAI3GNAI1
SCHEMBL4723821 0.73 SIGMAR1 (0.44) SIGMAR1GNAO1GNAI3GNAI1
SCHEMBL4722693 0.73 SIGMAR1 (0.41) SIGMAR1GNAO1GNAI3GNAI1
SCHEMBL2249240 0.72 SIGMAR1 (0.42) SIGMAR1GNAO1GNAI3GNAI1
SCHEMBL4763916 0.71 SIGMAR1 (0.38) SIGMAR1GNAO1GNAI3GNAI1
SCHEMBL7064806 0.70 SIGMAR1 (0.40) SIGMAR1GNAO1GNAI3GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105037689-B Intrinsic fire retarding epoxide resin of Halogen and preparation method thereof 四川大学 2018-01-30 CN disclosed
CN-105037689-A Halogen-free intrinsic flame retardant epoxy resin and preparing method thereof UNIV SICHUAN 2015-11-11 CN disclosed