SCHEMBL7754987

SCHEMBL7754987

O=C(O)CCCN1CCC(OCc2cc(-c3ccc(Cl)cc3)ccn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.46
NPY1R P25929 1/20 0.41
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
HRH3 Q9Y5N1 4/20 0.39
PTGIR P43119 1/20 0.39
LTA4H P09960 5/20 0.39
NR1H4 Q96RI1 1/20 0.38
KDM1A O60341 1/20 0.37

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
SCHEMBL1287484 0.80 BCHE (0.47) BCHENPY1RCARM1PRMT6HRH3
SCHEMBL20907004 0.79 SIGMAR1 (0.51) BCHEKDM1A
SCHEMBL8727056 0.74 BCHE (0.44) BCHENPY1RCARM1PRMT6PTGIR
SCHEMBL27616065 0.69 DRD2 (0.67)
Bepotastine SCHEMBL726880 0.68 BCHE (0.55) BCHE
Bepotastine SCHEMBL30200949 0.68 BCHE (0.55) BCHE
Bepotastine SCHEMBL29459 0.68 BCHE (0.55) BCHE
SCHEMBL28627172 0.68 BCHE (0.55) BCHEHRH3
Bepotastine SCHEMBL29440897 0.68 BCHE (0.55) BCHE
Bepotastine SCHEMBL5151702 0.68 BCHE (0.55) BCHE

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
JP-2001261553-A ORAL PHARMACEUTICAL PREPARATION TANABE SEIYAKU CO LTD 2001-09-26 JP disclosed