SCHEMBL28391952

SCHEMBL28391952

O=C(O)CCCCCN1CCC(OC(c2ccc(Cl)cc2)c2ccccn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 9/20 0.56
▸ DRD2 P14416 9/20 0.49
▸ NPC1 O15118 1/20 0.45
▸ MLNR O43193 1/20 0.45
▸ NR1I2 O75469 1/20 0.45
▸ EGFR P00533 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ ERBB2 P04626 1/20 0.45
▸ FYN P06241 1/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ CHRM4 P08173 1/20 0.45
▸ ABCB1 P08183 1/20 0.45
▸ ADRB1 P08588 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ CHRM5 P08912 1/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ ADRB3 P13945 1/20 0.45
▸ ADRA2B P18089 1/20 0.45

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 SCHEMBL5151702 0.96 BCHE (0.55) BCHEDRD2NPC1MLNRNR1I2
Bepotastine SCHEMBL726880 0.96 BCHE (0.55) BCHEDRD2NPC1MLNRNR1I2
Bepotastine SCHEMBL29440897 0.96 BCHE (0.55) BCHEDRD2NPC1MLNRNR1I2
Bepotastine SCHEMBL30200949 0.96 BCHE (0.55) BCHEDRD2NPC1MLNRNR1I2
Bepotastine SCHEMBL29459 0.96 BCHE (0.55) BCHEDRD2NPC1MLNRNR1I2
Bepotastine SCHEMBL2808049 0.95 BCHE (0.55) BCHEDRD2NPC1MLNRNR1I2
Bepotastine SCHEMBL2806225 0.95 BCHE (0.55) BCHEDRD2NPC1MLNRNR1I2
Bepotastine SCHEMBL2807641 0.95 BCHE (0.55) BCHEDRD2NPC1MLNRNR1I2
Bepotastine SCHEMBL2803678 0.95 BCHE (0.55) BCHEDRD2NPC1MLNRNR1I2
SCHEMBL9533373 0.92 BCHE (0.52) BCHEDRD2

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
CN-108383831-B Preparation method of bepotastine important intermediate 福建省微生物研究所 2020-05-05 — — CN claimed
CN-108383831-B Preparation method of bepotastine important intermediate 福建省微生物研究所 2020-05-05 — — CN disclosed
CN-108383831-B Preparation method of bepotastine important intermediate 福建省微生物研究所 2020-05-05 — — CN disclosed
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