SCHEMBL7971293

SCHEMBL7971293

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

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 20/20 0.64
ADRA1D P25100 17/20 0.64
ADRA1B P35368 16/20 0.64
OPRM1 P35372 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47

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
SCHEMBL7957056 0.89 ADRA1A (0.60) ADRA1AADRA1DADRA1BOPRM1ADRA2A
SCHEMBL6782399 0.88 ADRA1A (0.71) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6793226 0.85 ADRA1A (0.64) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6785443 0.83 ADRA1A (0.65) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6785290 0.80 ADRA1A (0.70) ADRA1AADRA1DADRA1BOPRM1ADRA2A
SCHEMBL6786014 0.80 ADRA1A (0.59) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7242253 0.80 ADRA1A (0.58) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6296632 0.80 ADRA1A (0.71) ADRA1AADRA1DADRA1BOPRM1ADRA2A
SCHEMBL7242551 0.79 ADRA1A (0.57) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7967228 0.78 ADRA1D (0.59) ADRA1AADRA1DADRA1BOPRM1

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
US-6268369-B1 ALPHA SUB 1 INHIBITORS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-07-31 US disclosed
WO-1996014846-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-05-23 WO disclosed