SCHEMBL8665380

SCHEMBL8665380

COC(=O)C1(c2ccccc2)CCN(CCCN(C=O)N2CC=CNC2=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 12/20 0.48
ADRA1A P35348 12/20 0.48
ADRA1B P35368 11/20 0.48
KCNA3 P22001 2/20 0.45

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
SCHEMBL6782399 0.73 ADRA1A (0.71) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL6969563 0.73 ADRA1D (0.51) ADRA1DADRA1AADRA1B
SCHEMBL6782204 0.73 ADRA1D (0.56) ADRA1DADRA1AADRA1B
SCHEMBL7971293 0.73 ADRA1A (0.64) ADRA1DADRA1AADRA1B
SCHEMBL6784680 0.72 ADRA1A (0.56) ADRA1DADRA1AADRA1B
SCHEMBL6196008 0.72 ADRA1D (0.62) ADRA1DADRA1AADRA1BKCNA3
SCHEMBL7967228 0.72 ADRA1D (0.59) ADRA1DADRA1AADRA1B
SCHEMBL6785443 0.71 ADRA1A (0.65) ADRA1DADRA1AADRA1B
SCHEMBL8658997 0.71 ADRA1D (0.53) ADRA1DADRA1AADRA1B
SCHEMBL6961790 0.70 KCNA3 (0.63) ADRA1DADRA1AADRA1BKCNA3

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-1998051311-A2 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-11-19 WO disclosed