SCHEMBL9533807

SCHEMBL9533807

CN(C)C(=O)CCCN1CCC(OC(c2ccc(Cl)cc2)c2ccccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.50
DRD2 P14416 9/20 0.47
LMNA P02545 2/20 0.46
CHRM2 P08172 2/20 0.46
ADRA2B P18089 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
HRH1 P35367 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KCNH2 Q12809 2/20 0.46
NPC1 O15118 1/20 0.46
MLNR O43193 1/20 0.46
NR1I2 O75469 1/20 0.46
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
FYN P06241 1/20 0.46
CHRM4 P08173 1/20 0.46
ABCB1 P08183 1/20 0.46
ADRB1 P08588 1/20 0.46
HTR1A P08908 1/20 0.46

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
SCHEMBL14367742 0.90 BCHE (0.52) BCHEDRD2LMNACHRM2ADRA2B
SCHEMBL9532187 0.90 BCHE (0.52) BCHEDRD2LMNACHRM2ADRA2B
Bepotastine SCHEMBL29459 0.89 BCHE (0.55) BCHEDRD2LMNACHRM2ADRA2B
Bepotastine SCHEMBL726880 0.89 BCHE (0.55) BCHEDRD2LMNACHRM2ADRA2B
SCHEMBL9531438 0.89 BCHE (0.53) BCHEDRD2LMNACHRM2ADRA2B
Bepotastine SCHEMBL29440897 0.89 BCHE (0.55) BCHEDRD2LMNACHRM2ADRA2B
Bepotastine SCHEMBL30200949 0.89 BCHE (0.55) BCHEDRD2LMNACHRM2ADRA2B
Bepotastine SCHEMBL5151702 0.89 BCHE (0.55) BCHEDRD2LMNACHRM2ADRA2B
SCHEMBL9532009 0.89 BCHE (0.51) BCHEDRD2LMNACHRM2ADRA2B
SCHEMBL13233182 0.89 BCHE (0.51) BCHEDRD2LMNACHRM2ADRA2B

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
EP-0335586-B1 PIPERIDINE & PIPERAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME UBE INDUSTRIES, LTD. (JP) 1993-06-02 EP disclosed
US-4929618-A ANTIALLERGENS, ANTIHISTAMINES UBE INDUSTRIES, LTD. (JP) 1990-05-29 US disclosed
EP-0335586-A1 Piperidine & piperazine derivatives, process for preparing the same and pharmaceutical compositions containing the same UBE INDUSTRIES, LTD. (JP) 1989-10-04 EP disclosed