SCHEMBL9635245

SCHEMBL9635245

CC(C)N1CC2CN(Cc3ccc(Cl)cc3)CC(C1)C2=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
S1PR5 Q9H228 1/20 0.43
TACR1 P25103 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX12 P18054 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
GRM2 Q14416 1/20 0.40
P2RX3 P56373 2/20 0.39
GAA P10253 1/20 0.39
HRH3 Q9Y5N1 4/20 0.38
HRH4 Q9H3N8 1/20 0.38

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
SCHEMBL9265205 0.86 TACR1 (0.47) S1PR5TACR1KDM4EALDH1A1MEN1
SCHEMBL9636794 0.80 CXCR3 (0.43) POLBS1PR5TACR1KDM4EALDH1A1
SCHEMBL9635246 0.78 KDM4E (0.52) S1PR5KDM4EALDH1A1MEN1KMT2A
SCHEMBL31518800 0.77 TSHR (0.42) ALDH1A1GRM2P2RX3
SCHEMBL9261212 0.76 MAPT (0.33) ALDH1A1
SCHEMBL14983598 0.74 SIGMAR1 (0.61) POLBKDM4EALDH1A1MEN1KMT2A
SCHEMBL23978589 0.73 SRD5A1 (0.45)
SCHEMBL2962712 0.71 FUCA1 (0.58) S1PR5TACR1SIGMAR1GAA
SCHEMBL11234409 0.69 CARM1 (0.48) TACR1
SCHEMBL21145988 0.68 PIK3CD (0.31) HRH3

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-5110933-A Salts of 3-azabicyclo[3.3.1]nonanes as antiarrhythmic agents, and precursors thereof BOARD OF REGENTS OF OKLAHOMA STATE UNIVERSITY (US) 1992-05-05 US disclosed
US-5084572-A Cardiovascular disorders BOARD OF REGENTS OF OKLAHOMA STATE UNIVERSITY (US) 1992-01-28 US disclosed
WO-1991007405-A1 SALTS OF 3-AZABICYCLO[3.3.1]NONANES AS ANTIARRHYTHMIC AGENTS, AND PRECURSORS THEREOF THE BOARD OF REGENTS OF OKLAHOMA STATE UNIVERSITY (US) 1991-05-30 WO disclosed