SCHEMBL8408692

SCHEMBL8408692

COc1cc2nc(N3CCN(C(=O)CCCCCCCBr)CC3)nc(N)c2cc1OC

nearest known ligand 0.90

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 8/20 0.72
ADRA1B P35368 8/20 0.72
ADRA1D P25100 3/20 0.72
ADRA2A P08913 1/20 0.72
ADRA2B P18089 1/20 0.72
ADRA2C P18825 1/20 0.72
DRD3 P35462 1/20 0.72
KCNH2 Q12809 1/20 0.72

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
SCHEMBL20610512 0.95 ADRA1A (0.79) ADRA1AADRA1BADRA1DADRA2AADRA2B
SCHEMBL20610682 0.94 ADRA1A (0.81) ADRA1AADRA1BADRA1DADRA2AADRA2B
SCHEMBL8408731 0.91 ADRA1A (0.74) ADRA1AADRA1BADRA1DADRA2AADRA2B
SCHEMBL20610508 0.90 ADRA1A (0.81) ADRA1AADRA1BADRA1DADRA2AADRA2B
SCHEMBL9832332 0.89 ADRA1A (0.76) ADRA1AADRA1BADRA1DADRA2AADRA2B
SCHEMBL7824819 0.89 ADRA1A (0.76) ADRA1AADRA1BADRA1DADRA2AADRA2B
Bromide SCHEMBL7833561 0.88 ADRA1A (0.75) ADRA1AADRA1BADRA1DADRA2AADRA2B
SCHEMBL20631454 0.88 ADRA1A (0.92) ADRA1AADRA1BADRA1DADRA2AADRA2B
SCHEMBL7826177 0.87 ADRA1A (0.79) ADRA1AADRA1BADRA1DADRA2AADRA2B
SCHEMBL10623369 0.86 ADRA1A (0.78) ADRA1AADRA1BADRA1DADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5869484-A TREATING DISEASES DERIVED BY ACETYLCHOLINE DEFICIENCY; ALZHEIMER*S DISEASE MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1999-02-09 US disclosed
EP-0772608-A1 PHENYLCARBAMATE DERIVATIVES SUITABLE TO THE USE AS ANTICHOLINESTERASE SUBSTANCES MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1997-05-14 EP disclosed
WO-1996002524-A1 PHENYLCARBAMATE DERIVATIVES SUITABLE TO THE USE AS ANTICHOLINESTERASE SUBSTANCES MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1996-02-01 WO disclosed