SCHEMBL20039912

SCHEMBL20039912

Cc1ccc(C(c2ccccc2)N2CCN(CCO)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.64
CACNA2D1 P54289 1/20 0.58
CACNA1B Q00975 1/20 0.58
CACNB1 Q02641 1/20 0.58
CACNA1C Q13936 1/20 0.58
OPRK1 P41145 3/20 0.57
DRD3 P35462 3/20 0.57
CHRM2 P08172 3/20 0.57
ADRA2A P08913 2/20 0.57
HTR2A P28223 2/20 0.57
HRH1 P35367 2/20 0.57
HTR2B P41595 2/20 0.57
KCNH2 Q12809 2/20 0.57
CYP2D6 P10635 2/20 0.57
DRD2 P14416 2/20 0.57
ABCB11 O95342 1/20 0.57
ADRA2B P18089 1/20 0.57
ADRA2C P18825 1/20 0.57
DRD4 P21917 1/20 0.57
HRH2 P25021 1/20 0.57

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
SCHEMBL7289187 0.94 RAB9A (0.58) OPRD1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL1491229 0.91 OPRD1 (0.65) OPRD1OPRK1DRD3CHRM2ADRA2A
Hydrochloric Acid SCHEMBL27914610 0.89 OPRD1 (0.64) OPRD1OPRK1DRD3CHRM2ADRA2A
SCHEMBL9613663 0.87 HRH1 (0.78) OPRD1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL1405261 0.85 DRD3 (0.76) OPRD1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL13845055 0.85 DRD3 (0.76) OPRD1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL10367443 0.85 DRD3 (0.60) OPRD1OPRK1DRD3CHRM2ADRA2A
Hydrochloric Acid SCHEMBL5113093 0.84 DRD3 (0.74) OPRD1CACNA2D1CACNA1BCACNB1CACNA1C
Hydrochloric Acid SCHEMBL6475984 0.83 DRD3 (0.73) OPRD1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL6618656 0.81 DRD3 (0.63) OPRD1OPRK1DRD3CHRM2ADRA2A

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-3013323-B1 COMPLEX GRANULE FORMULATION HAVING IMPROVED STABILITY COMPRISING LEVOCETIRIZINE AND MONTELUKAST HANMI PHARM IND CO LTD (KR) 2020-05-13 EP disclosed
WO-2019004776-A2 COMPOSITE CHEWABLE TABLET INCLUDING LEVOCETIRIZINE AND MONTELUKAST WITH IMPROVED STABILITY AND DRUG COMPLIANCE, AND METHOD OF PREPARING THE SAME HANMI PHARM. CO., LTD. (KR) 2019-01-03 WO disclosed
EP-2800558-B1 STABLE PHARMACEUTICAL FORMULATION FOR ORAL ADMINISTRATION COMPRISING LEVOCETIRIZINE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND MONTELUKAST OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF HANMI PHARM IND CO LTD (KR) 2018-04-11 EP disclosed