SCHEMBL7185401

SCHEMBL7185401

CCN(CC)CCOCCC1(c2ccccc2)CCCC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 9/20 0.78
CHRM1 P11229 8/20 0.78
DRD3 P35462 1/20 0.65
ALDH1A1 P00352 5/20 0.58
PRCP P42785 2/20 0.58
SIGMAR1 Q99720 2/20 0.58
KDM4E B2RXH2 2/20 0.58
LMNA P02545 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
TSHR P16473 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
SLC22A1 O15245 1/20 0.58
THRB P10828 1/20 0.58
HTT P42858 1/20 0.58
TMEM97 Q5BJF2 1/20 0.58
POLB P06746 1/20 0.52
NFKB1 P19838 1/20 0.48
PMP22 Q01453 1/20 0.48

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
SCHEMBL4453585 0.85 CHRM2 (0.62) CHRM2CHRM1DRD3ALDH1A1PRCP
Carbetapentane SCHEMBL15516338 0.74 CHRM2 (1.00) CHRM2CHRM1DRD3ALDH1A1PRCP
Carbetapentane SCHEMBL67879 0.74 CHRM2 (1.00) CHRM2CHRM1DRD3ALDH1A1PRCP
SCHEMBL11630299 0.73 CHRM2 (0.50) CHRM2CHRM1DRD3ALDH1A1PRCP
Carbetapentane SCHEMBL5174918 0.73 CHRM2 (0.98) CHRM2CHRM1ALDH1A1PRCPSIGMAR1
Carbetapentane SCHEMBL15512243 0.72 CHRM2 (0.95) CHRM2CHRM1DRD3ALDH1A1PRCP
SCHEMBL2089640 0.71 SLC6A4 (0.59) CHRM2CHRM1SLC6A2SLC6A4SLC6A3
SCHEMBL14347878 0.71 CHRM2 (0.47) CHRM2CHRM1DRD3PRCPSIGMAR1
SCHEMBL9330574 0.70 CHRM2 (0.55) CHRM2CHRM1DRD3ALDH1A1PRCP
SCHEMBL12893226 0.69 CYP2D6 (0.56) CHRM2CHRM1DRD3ALDH1A1PRCP

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
US-6586469-B2 Carbetapentane tannate and pyrilamine tannate are administered orally for the symptomatic relief of coryza associated with the common cold, sinusitis, allergic rhinitis, unproductive cough and upper respiratory tract conditions MEDPOINTE HEALTHCARE INC. 2003-07-01 US disclosed
US-20020156021-A1 Antihistaminic/Antitussive compositions GENERAL ELECTRIC CAPITAL CORPORATION 2002-10-24 US disclosed
US-6306904-B1 DRUGS FOR TREATMENT OF COLD, SINUSITIS, ALLERGIC RHINITIS AND RESPIRATORY SYSTEM DISORDERS WITH CARBETAPENTANE TANNATE AND PYRILAMINE TANNATE WHICH ARE EFFECTIVE WHEN ADMINISTERED ORALLY CARTER-WALLACE, INC. 2001-10-23 US disclosed