SCHEMBL20907014

SCHEMBL20907014

O=C(O)CCCN1CCC(OC(c2ccccc2)c2ccccn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.55
HTR1A P08908 2/20 0.55
ADRA2A P08913 2/20 0.55
CHRM1 P11229 2/20 0.55
DRD1 P21728 2/20 0.55
SLC6A2 P23975 2/20 0.55
ADRA1A P35348 2/20 0.55
DRD3 P35462 2/20 0.55
SLC6A3 Q01959 2/20 0.55
KCNH2 Q12809 2/20 0.55
NPC1 O15118 1/20 0.55
MLNR O43193 1/20 0.55
NR1I2 O75469 1/20 0.55
EGFR P00533 1/20 0.55
LMNA P02545 1/20 0.55
ERBB2 P04626 1/20 0.55
FYN P06241 1/20 0.55
CHRM4 P08173 1/20 0.55
ABCB1 P08183 1/20 0.55
ADRB1 P08588 1/20 0.55

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
Bepotastine SCHEMBL29459 0.93 BCHE (0.55) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL20907012 0.93 ADRA1D (0.51) CHRM2HTR1AADRA2ACHRM1DRD1
Bepotastine SCHEMBL29440897 0.93 BCHE (0.55) CHRM2HTR1AADRA2ACHRM1DRD1
Bepotastine SCHEMBL30200949 0.93 BCHE (0.55) CHRM2HTR1AADRA2ACHRM1DRD1
Bepotastine SCHEMBL5151702 0.93 BCHE (0.55) CHRM2HTR1AADRA2ACHRM1DRD1
Bepotastine SCHEMBL726880 0.93 BCHE (0.55) CHRM2HTR1AADRA2ACHRM1DRD1
Bepotastine SCHEMBL2803678 0.92 BCHE (0.55) CHRM2HTR1AADRA2ACHRM1DRD1
Bepotastine SCHEMBL2808049 0.92 BCHE (0.55) CHRM2HTR1AADRA2ACHRM1DRD1
Bepotastine SCHEMBL2806225 0.92 BCHE (0.55) CHRM2HTR1AADRA2ACHRM1DRD1
Bepotastine SCHEMBL2807641 0.92 BCHE (0.55) CHRM2HTR1AADRA2ACHRM1DRD1

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
WO-2019073486-A1 IMPROVED PROCESS FOR THE MANUFACTURE OF BEPOTASTINE AND ITS BESILATE SALT METROCHEM API PVT LTD. (IN) 2019-04-18 WO disclosed