SCHEMBL13925152

SCHEMBL13925152

Bc1ccc(C(=O)CCCN2CCC(O)CC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.58
MEN1 O00255 1/20 0.58
CHRM2 P08172 1/20 0.58
HTR1A P08908 1/20 0.58
ADRA2A P08913 1/20 0.58
DRD1 P21728 1/20 0.58
OPRM1 P35372 1/20 0.58
DRD3 P35462 1/20 0.58
KMT2A Q03164 1/20 0.58
KCNH2 Q12809 1/20 0.58
HRH3 Q9Y5N1 1/20 0.58
DRD2 P14416 2/20 0.53
ADRA1D P25100 1/20 0.52
ADRA1B P35368 1/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
RAD52 P43351 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL20254428 0.86 MEN1 (0.78) ADRA1AMEN1CHRM2HTR1AADRA2A
SCHEMBL4313455 0.85 ADRA1A (0.69) ADRA1AMEN1CHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL30658979 0.84 MEN1 (0.76) ADRA1AMEN1CHRM2HTR1AADRA2A
SCHEMBL4350904 0.82 CYP2J2 (0.69) ADRA1AMEN1CHRM2HTR1AADRA2A
SCHEMBL7393089 0.80 ADRA1D (0.62) ADRA1AKCNH2DRD2ADRA1DADRA1B
SCHEMBL13925153 0.79 CYP2J2 (0.56) ADRA1AMEN1CHRM2HTR1AADRA2A
SCHEMBL12022081 0.79 CYP2J2 (0.59) ADRA1AMEN1CHRM2HTR1AADRA2A
Fumaric Acid SCHEMBL10768049 0.76 CYP2J2 (0.65) ADRA1AMEN1CHRM2HTR1AADRA2A
Fumaric Acid SCHEMBL10768052 0.76 CYP2J2 (0.65) ADRA1AMEN1CHRM2HTR1AADRA2A
SCHEMBL12142514 0.76 CYP2J2 (0.53) ADRA1AMEN1CHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498443-B2 Process for production of carebastine ALBANY MOLECULAR RESEARCH, INC. (US) 2009-03-03 US disclosed