SCHEMBL7957056

SCHEMBL7957056

CCC1=C(C(=O)OCCC#N)C(c2ccc([N+](=O)[O-])cc2)N(N(C=O)CCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 20/20 0.60
ADRA1D P25100 16/20 0.60
ADRA1B P35368 16/20 0.60
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
OPRM1 P35372 1/20 0.43

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
SCHEMBL7971293 0.89 ADRA1A (0.64) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6787156 0.88 ADRA1A (0.57) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6272493 0.88 ADRA1A (0.67) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6782399 0.84 ADRA1A (0.71) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6793226 0.82 ADRA1A (0.64) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7952573 0.81 ADRA1A (0.74) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7237001 0.80 ADRA1A (0.60) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6785443 0.79 ADRA1A (0.65) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL8595413 0.78 ADRA1A (0.58) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6786714 0.77 ADRA1A (0.61) ADRA1AADRA1DADRA1BADRA2AADRA2B

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-6268369-B1 ALPHA SUB 1 INHIBITORS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-07-31 US disclosed