SCHEMBL7962263

SCHEMBL7962263

COC(=O)N1C2C=CC1C(c1ccc(Cl)nc1)C2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.40
CHRNA4 P43681 8/20 0.40
CHRNB4 P30926 4/20 0.36
CHRNA3 P32297 4/20 0.36
CHRNA2 Q15822 2/20 0.36
CHRNA7 P36544 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
HPGD P15428 1/20 0.36
CHRND Q07001 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL7955531 0.87 KDM1A (0.43)
SCHEMBL7957880 0.84 SMARCA2 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL7948163 0.76 CYP3A4 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL7948346 0.76 CHRNB2 (0.62) CHRNB2CHRNA4
SCHEMBL24155178 0.70 RAB9A (0.44) CHRNB2CHRNA4ALDH1A1KMT2AHPGD
SCHEMBL28944854 0.69 DDB1 (0.47) CHRNB2CHRNA4
SCHEMBL30116723 0.66 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2
SCHEMBL24154668 0.66 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2
SCHEMBL8486011 0.65 RAB9A (0.44) CHRNB2CHRNA4CHRNA7KMT2A
SCHEMBL30116807 0.65 RAB9A (0.44) CHRNB2CHRNA4CHRNA7ALDH1A1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6255490-B1 TREATING DISORDERS ASSOCIATED WITH CHANGES IN CHOLINERGIC ACTIVITY; NON-OPIATE BASED ANALGESIC FOR MODERATE TO SEVERE PAIN EQUALLY OR EXCEEDING THE POTENCY OF OPIATE ANALGESICS, YET LACKING ADDICTIVE SIDE EFFECTS UNIVERSITY OF VIRGINIA 2001-07-03 US disclosed
US-6117889-A 7-Azabicyclo-[2.2.1]-heptane and -heptene derivatives as analgesics and anti-inflammatory agents UNIVERSITY OF VIRGINIA (US) 2000-09-12 US disclosed
US-6060473-A 7-azabicyclo[2.2.1]-heptane and -heptene derivatives as cholinergic receptor ligands UCB S.A. - DTB (BE) 2000-05-09 US disclosed
WO-1996006093-A1 7-AZABICYCLO[2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS CHOLINERGIC RECEPTOR LIGANDS UNIVERSITY OF VIRGINIA (US) 1996-02-29 WO disclosed
WO-1994022868-A1 7-AZABICYCLO-[2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS ANALGESICS AND ANTI-INFLAMMATORY AGENTS UNIVERSITY OF VIRGINIA (US) 1994-10-13 WO disclosed