SCHEMBL6977704

SCHEMBL6977704

CC(CN(CCCCN1CCCCC1=O)C(C)C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.40
DRD3 P35462 2/20 0.39
KCNH2 Q12809 1/20 0.39
MC4R P32245 1/20 0.39
ADRA1B P35368 1/20 0.38
ELANE P08246 1/20 0.37
GAA P10253 2/20 0.37
RAB9A P51151 1/20 0.37
PDK2 Q15119 1/20 0.35
DRD1 P21728 1/20 0.35
PTGER4 P35408 2/20 0.35
PTGER3 P43115 1/20 0.35
DAO P14920 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
HPGD P15428 1/20 0.35
PTGER2 P43116 1/20 0.35

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
SCHEMBL6983872 0.89 MC4R (0.42) HTR7DRD3KCNH2MC4RADRA1B
SCHEMBL4875623 0.79 HTR2A (0.39) HTR7DRD3ELANEGAAPTGER4
SCHEMBL4870508 0.78 HTR2A (0.40) HTR7DRD3ELANEGAAPTGER4
SCHEMBL6985724 0.78 KMT2A (0.40) ADRA1BGAAHPGD
SCHEMBL6982527 0.76 NPC1 (0.41) ADRA1BGAARAB9A
SCHEMBL6987894 0.72 ADRA1B (0.37) ADRA1B
SCHEMBL6985684 0.72 ADRA1B (0.47) MC4RADRA1B
SCHEMBL6979847 0.72 ADRA1B (0.41) ADRA1B
SCHEMBL6978015 0.71 MEN1 (0.39) MC4RADRA1BRAB9A
SCHEMBL6981559 0.69 ADRA1B (0.41) ADRA1B

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-1289965-A1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-03-12 EP disclosed
WO-2001090081-A1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-29 WO disclosed