SCHEMBL11615002

SCHEMBL11615002

C[C@@H]1CCC[C@H](C)N1CCCC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
DRD2 P14416 3/20 0.49
DRD4 P21917 3/20 0.49
HTR1A P08908 2/20 0.49
HTR2A P28223 2/20 0.49
HRH1 P35367 2/20 0.49
HTR2C P28335 1/20 0.49
SLC18A3 Q16572 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL11615000 1.00 L3MBTL1 (0.50) L3MBTL1LMNAMAPTTDP1ADRA1D
SCHEMBL22778884 0.86 ALDH1A1 (0.53) LMNAMAPTADRA1ADRD2HTR1A
SCHEMBL4944365 0.79 SCN1A (0.60) L3MBTL1LMNAMAPTTDP1
SCHEMBL1855151 0.77 CYP1A2 (0.46)
SCHEMBL11728789 0.77 CYP1A2 (0.46)
SCHEMBL30914537 0.75 CYP2D6 (0.53) ALDH1A1KMT2A
SCHEMBL11402919 0.74 ADRA1A (0.64) ADRA1DADRA1AADRA1BDRD2HTR1A
SCHEMBL18939490 0.73 HRH3 (0.43) LMNA
SCHEMBL7645836 0.72 ALDH1A1 (0.81) L3MBTL1MAPTADRA1DADRA1AADRA1B
SCHEMBL10603564 0.72 ALDH1A1 (0.81) L3MBTL1MAPTADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4112103-A Antiarrhythmic (+,-)-cis-α-[3-(2,6-dimethyl-1-piperidinyl)propyl]-α-phenyl-2-pyridinemethanols PARKE, DAVIS & COMPANY (US) 1978-09-05 US disclosed
US-4112103-A Antiarrhythmic (+,-)-cis-α-[3-(2,6-dimethyl-1-piperidinyl)propyl]-α-phenyl-2-pyridinemethanols PARKE, DAVIS & COMPANY (US) 1978-09-05 US disclosed
US-4031101-A ANTIARRHYTHMIA AGENT PARKE, DAVIS & COMPANY (US) 1977-06-21 US disclosed
US-4031101-A ANTIARRHYTHMIA AGENT PARKE, DAVIS & COMPANY (US) 1977-06-21 US disclosed