SCHEMBL7511068

SCHEMBL7511068

COc1ccc2c(c1N)CCCC2c1c[nH]c(C)n1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.36
ADRA2A P08913 3/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ACHE P22303 3/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL7097683 0.80 ADRA1A (0.40) ADRA1AADRA2ACA1CA2ACHE
SCHEMBL7102182 0.74 ADRA1A (0.36) ADRA1AADRA2ACA1CA2ACHE
SCHEMBL7100855 0.72 KDM2B (0.35) ADRA1AADRA2ACA1CA2ACHE
SCHEMBL7098514 0.71 SCN9A (0.36) ADRA1A
SCHEMBL7101986 0.70 HTR1A (0.33) ADRA1ACA1CA2
SCHEMBL7104921 0.70 ADRA1A (0.36) ADRA1AADRA2ACA1CA2CYP11B2
SCHEMBL7098163 0.68 ADRA2A (0.65) ADRA1AADRA2A
SCHEMBL7098178 0.67 DDB1 (0.35) ADRA1A
SCHEMBL8857004 0.67 ADRA1A (0.43) ADRA1ACA1CA2ACHECYP11B2
SCHEMBL8865462 0.67 PARP1 (0.43) ADRA1AADRA2ACA1CA2

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
EP-1259491-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS Abbott Laboratories (US) 2002-11-27 EP disclosed
WO-2001060802-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES, AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS ABBOTT LABORATORIES (US) 2001-08-23 WO disclosed