SCHEMBL7220679

SCHEMBL7220679

CCCN1CCC(N)CC1.CCCN1CCC(N)CC1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.67
GNAO1 P09471 3/20 0.67
GNAI1 P63096 3/20 0.67
SPHK1 Q9NYA1 1/20 0.51
DRD2 P14416 8/20 0.47
SLC6A4 P31645 3/20 0.40
PABPC1 P11940 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
SCHEMBL598485 1.00 GNAI3 (0.67) GNAI3GNAO1GNAI1SPHK1DRD2
Hydrochloric Acid SCHEMBL25362599 0.98 GNAI3 (0.70) GNAI3GNAO1GNAI1SPHK1DRD2
Propylamine SCHEMBL7227689 0.93 GNAI3 (0.60) GNAI3GNAO1GNAI1SPHK1DRD2
Dimethylamine SCHEMBL8113230 0.93 GNAI3 (0.60) GNAI3GNAO1GNAI1SPHK1DRD2
Dimethylamine SCHEMBL6939835 0.93 GNAI3 (0.60) GNAI3GNAO1GNAI1SPHK1DRD2
Diethylamine SCHEMBL6945135 0.89 GNAI3 (0.56) GNAI3GNAO1GNAI1SPHK1DRD2
SCHEMBL6941401 0.88 GNAI3 (0.55) GNAI3GNAO1GNAI1SPHK1DRD2
SCHEMBL6941884 0.86 GNAO1 (0.81) GNAI3GNAO1GNAI1SPHK1
SCHEMBL13102165 0.86
SCHEMBL13102164 0.86

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
US-6642231-B2 Antineoplastic agents, treatment for neuronal injury and degeneration AVENTIS PHARMACEUTICALS INC. 2003-11-04 US disclosed