SCHEMBL10568199

SCHEMBL10568199

O=C1CCc2c(OCCCN3CCN(c4ccccc4)CC3)cccc2N1Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.58
DRD3 P35462 2/20 0.53
ADRB2 P07550 1/20 0.53
CHRM2 P08172 1/20 0.53
CHRM4 P08173 1/20 0.53
ADRB1 P08588 1/20 0.53
CHRM5 P08912 1/20 0.53
CHRM1 P11229 1/20 0.53
DRD2 P14416 1/20 0.53
CHRM3 P20309 1/20 0.53
DRD4 P21917 1/20 0.53
ADRA1D P25100 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
HTR1A P08908 1/20 0.51

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
SCHEMBL10575317 0.95 SIGMAR1 (0.54) SIGMAR1DRD3ADRB2CHRM2CHRM4
SCHEMBL10569588 0.92 SIGMAR1 (0.56) SIGMAR1DRD3DRD2DRD4HTR1A
SCHEMBL10568767 0.89 SIGMAR1 (0.58) SIGMAR1DRD3ADRB2CHRM2CHRM4
SCHEMBL10572966 0.89 DRD2 (0.52) SIGMAR1DRD3DRD2DRD4ADRA1D
SCHEMBL10567416 0.86 SIGMAR1 (0.54) SIGMAR1DRD3ADRB2CHRM2CHRM4
SCHEMBL10570155 0.85 HTR1A (0.57) SIGMAR1DRD3ADRB2CHRM2CHRM4
SCHEMBL11070274 0.84 CHRM1 (0.55) SIGMAR1DRD3CHRM2CHRM4CHRM5
SCHEMBL11062798 0.83 CHRM2 (0.60) DRD3ADRB2CHRM2CHRM4ADRB1
SCHEMBL10570390 0.83 MAPT (0.56)
Hydrochloric Acid SCHEMBL10570172 0.82 MAPT (0.55)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4734416-A ANTIHISTAMINES, CENTRAL NERVOUS SYSTEM CONTROLLING ACTION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-03-29 US claimed
JP-62149664-A None JP disclosed
US-4824840-A ANTIHISTAMINES, NERVOUS SYSTEM CONTROLLERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-04-25 US disclosed
US-4734416-A ANTIHISTAMINES, CENTRAL NERVOUS SYSTEM CONTROLLING ACTION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-03-29 US disclosed
JP-S62149664-A PRODUCTION OF CARBOSTYRIL DERIVATIVE OTSUKA PHARMACEUT CO LTD 1987-07-03 JP disclosed