SCHEMBL9533720

SCHEMBL9533720

CCOC(=O)CCCN1CCC(OC(c2ccccc2)c2ccc(C)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.59
HTR1A P08908 2/20 0.59
ADRA2A P08913 2/20 0.59
CHRM1 P11229 2/20 0.59
DRD1 P21728 2/20 0.59
SLC6A2 P23975 2/20 0.59
ADRA1A P35348 2/20 0.59
DRD3 P35462 2/20 0.59
SLC6A3 Q01959 2/20 0.59
KCNH2 Q12809 2/20 0.59
NPC1 O15118 1/20 0.59
MLNR O43193 1/20 0.59
NR1I2 O75469 1/20 0.59
EGFR P00533 1/20 0.59
LMNA P02545 1/20 0.59
ERBB2 P04626 1/20 0.59
FYN P06241 1/20 0.59
CHRM4 P08173 1/20 0.59
ABCB1 P08183 1/20 0.59
ADRB1 P08588 1/20 0.59

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
SCHEMBL9674245 0.96 BCHE (0.59) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL4021861 0.96 CHRM2 (0.63) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL9531532 0.92 BCHE (0.65) CHRM2HTR1AADRA2ACHRM1DRD1
Hydrochloric Acid SCHEMBL9353013 0.92 BCHE (0.64) CHRM2HTR1AADRA2ACHRM1DRD1
Fumaric Acid SCHEMBL10409952 0.91 CHRM2 (0.58) CHRM2HTR1AADRA2ACHRM1DRD1
Fumaric Acid SCHEMBL10409951 0.91 CHRM2 (0.58) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL9532613 0.89 BCHE (0.56) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL9353416 0.89 CHRM2 (0.63) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL4254317 0.89 BCHE (0.59) CHRM2HTR1AADRA2ACHRM1DRD1
Hydrochloric Acid SCHEMBL9356744 0.88 CHRM2 (0.62) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4929618-A ANTIALLERGENS, ANTIHISTAMINES UBE INDUSTRIES, LTD. (JP) 1990-05-29 US claimed
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